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Chemical ID: 5165284

CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl

Chemical ID:

5165284

Name [?]:

1-(4-chlorobenzoyl)-N-(2-ethoxyphenyl)-piperidine-4-carboxamide

SMILES [?]:

CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C21H23ClN2O3/c1-2-27-19-6-4-3-5-18(19)23-20(25)15-11-13-24(14-12-15)21(26)16-7-9-17(22)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,7,6,8,5,22,26,23,25,14,18,15,17,13,21,24,9,4,11,19,27,10,16,12,20,3/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCOCCCCCCNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃ClN₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3452
Area:	612.134
Solvation:	-3.95813
Coulombic:	-46.914

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	386.872
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.8
LogP (Chemaxon):	3.39

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

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Chemical Mix	Source	External ID	Descriptor	Value