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Chemical ID: 5901965

CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CCC3CCCC3

Chemical ID:

5901965

Name [?]:

N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]propanamide

SMILES [?]:

CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CCC3CCCC3

InChi [?]:

InChI=1/C21H31N3O2/c1-2-20(25)22-18-8-10-19(11-9-18)23-13-15-24(16-14-23)21(26)12-7-17-5-3-4-6-17/h8-11,17H,2-7,12-16H2,1H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,2,24,25,23,26,21,7,11,8,10,20,13,17,14,16,22,6,9,3,18,5,12,15,4,19/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:26nCCCONCCCCCCNCCNCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₁N₃O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3041
Area:	604.572
Solvation:	-3.81023
Coulombic:	-41.878

Bond Count [?]

All:	28
Single:	23
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	357.49
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.87
LogP (Chemaxon):	3.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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