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Chemical ID: 5889102

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)c5ccc(cc5)Cl

Chemical ID:

5889102

Name [?]:

N-[4-(4-benzyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-4-chloro-benzamide

SMILES [?]:

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)c5ccc(cc5)Cl

InChi [?]:

InChI=1/C31H34ClN3O2/c32-26-11-9-25(10-12-26)30(36)33-27-13-14-29(28(22-27)31(37)35-17-5-2-6-18-35)34-19-15-24(16-20-34)21-23-7-3-1-4-8-23/h1,3-4,7-14,22,24H,2,5-6,15-21H2,(H,33,36)

InChi Info:

AuxInfo=1/1/N:1,25,2,6,24,26,3,5,32,36,33,35,16,15,9,13,23,27,10,12,7,18,4,8,31,34,17,19,14,29,20,37,28,11,22,30,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)/rA:37nCCCCCCCCCCNCCCCCCCCCONCCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;s22s26;s17;s28;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₄ClN₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	15.1554
Area:	774.938
Solvation:	-4.21808
Coulombic:	-47.592

Bond Count [?]

All:	41
Single:	30
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	516.073
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.05
LogP (Chemaxon):	6.42

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value