ChemDB: Chemical Search
Download
Chemical ID: 5890352
Chemical ID:
5890352
Name [?]:
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-piperidylcarbonyl)phenyl]cyclopentanecarboxamide
SMILES [?]:
COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)C5CCCC5
InChi [?]:
InChI=1/C29H38N4O3/c1-36-27-12-6-5-11-26(27)32-19-17-31(18-20-32)25-14-13-23(30-28(34)22-9-3-4-10-22)21-24(25)29(35)33-15-7-2-8-16-33/h5-6,11-14,21-22H,2-4,7-10,15-20H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,26,34,35,6,5,25,27,33,36,7,4,17,16,24,28,11,13,10,14,19,32,18,20,15,8,3,30,21,29,12,9,23,31,22,2/E:(3,4)(7,8)(9,10)(15,16)(17,18)(19,20)/rA:36nCOCCCCCCNCCNCCCCCCCCCONCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;s23s27;s18;s29;d30;s30;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H38N4O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.326 |
Area: | 739.183 |
Solvation: | -6.15354 |
Coulombic: | -57.3507 |
Bond Count [?]
All: | 40 |
Single: | 32 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 490.637 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.68 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|