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Chemical ID: 4238018

Chemical ID:

4238018

Name [?]:

N-butyl-1-(3-chlorobenzoyl)-piperidine-4-carboxamide

SMILES [?]:

CCCCNC(=O)C1CCN(CC1)C(=O)c2cccc(c2)Cl

InChi [?]:

InChI=1/C17H23ClN2O2/c1-2-3-9-19-16(21)13-7-10-20(11-8-13)17(22)14-5-4-6-15(18)12-14/h4-6,12-13H,2-3,7-11H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,3,18,17,19,9,13,4,10,12,21,8,16,20,6,14,22,5,11,7,15/E:(7,8)(10,11)/rA:22nCCCCNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₃ClN₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9394
Area:	551.451
Solvation:	-2.84686
Coulombic:	-39.3339

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	322.829
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.25
LogP (Chemaxon):	2.35

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