Chemical ID: 4203957

COc1ccc(c(c1)OC)CN2CCC(CC2)C(=O)NCc3ccccc3Cl
Chemical ID:
4203957
Name [?]:
N-[(2-chlorophenyl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(c(c1)OC)CN2CCC(CC2)C(=O)NCc3ccccc3Cl
InChi [?]:
InChI=1/C22H27ClN2O3/c1-27-19-8-7-18(21(13-19)28-2)15-25-11-9-16(10-12-25)22(26)24-14-17-5-3-4-6-20(17)23/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,10,24,25,23,26,5,4,14,16,13,17,8,21,11,15,22,6,3,27,7,18,28,20,12,19,2,9/E:(9,10)(11,12)/rA:28nCOCCCCCCOCCNCCCCCCONCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27ClN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.5091
Area:636.24
Solvation:-5.39691
Coulombic:-41.1123
Bond Count [?]
All:30
Single:23
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.914
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.64
LogP (Chemaxon):3.16

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