ChemDB: Chemical Search
Download
Chemical ID: 3958038
Chemical ID:
3958038
Name [?]:
2-(4-hydroxy-4-phenyl-1-piperidyl)-N-(4-pyrrolidin-1-ylphenyl)-acetamide
SMILES [?]:
c1ccc(cc1)C2(CCN(CC2)CC(=O)Nc3ccc(cc3)N4CCCC4)O
InChi [?]:
InChI=1/C23H29N3O2/c27-22(24-20-8-10-21(11-9-20)26-14-4-5-15-26)18-25-16-12-23(28,13-17-25)19-6-2-1-3-7-19/h1-3,6-11,28H,4-5,12-18H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,26,3,5,18,22,19,21,8,12,24,27,9,11,13,4,17,20,14,7,16,10,23,15,28/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:28nCCCCCCCCCNCCCCONCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s23s26;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7339 |
Area: | 606.169 |
Solvation: | -4.42035 |
Coulombic: | -49.5326 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.495 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.89 |
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 |
---|