Chemical ID: 5890352

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)C5CCCC5
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

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Experimental Annotations

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Descriptor Annotations

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