Chemical ID: 5830103

CN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)Cl
Chemical ID:
5830103
Name [?]:
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methyl-piperidine-4-carboxamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H25ClN2O/c1-23(15-17-5-3-2-4-6-17)21(25)19-11-13-24(14-12-19)16-18-7-9-20(22)10-8-18/h2-10,19H,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,20,24,21,23,13,17,14,16,3,18,4,19,12,22,10,25,2,15,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCNCCCCCCCCOCCCNCCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25ClN2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5884
Area:579.469
Solvation:-2.89838
Coulombic:-23.8844
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.889
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.95
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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