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Chemical ID: 5898855

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCC4)NC(=O)CCC5CCCC5

Chemical ID:

5898855

Name [?]:

N-[4-(4-benzyl-1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-cyclopentyl-propanamide

SMILES [?]:

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCC4)NC(=O)CCC5CCCC5

InChi [?]:

InChI=1/C31H41N3O2/c35-30(15-12-24-8-4-5-9-24)32-27-13-14-29(28(23-27)31(36)34-18-6-7-19-34)33-20-16-26(17-21-33)22-25-10-2-1-3-11-25/h1-3,10-11,13-14,23-24,26H,4-9,12,15-22H2,(H,32,35)

InChi Info:

AuxInfo=1/1/N:1,2,6,34,35,24,25,33,36,3,5,31,16,15,30,9,13,23,26,10,12,7,18,32,4,8,17,19,14,28,20,27,11,22,29,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(16,17)(18,19)(20,21)/rA:36nCCCCCCCCCCNCCCCCCCCCONCCCCNCOCCCCCCC/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;s22s25;s17;s27;d28;s28;s30;s31;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₄₁N₃O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.8793
Area:	766.166
Solvation:	-4.27481
Coulombic:	-44.9483

Bond Count [?]

All:	40
Single:	32
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	487.676
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.05
LogP (Chemaxon):	5.81

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