Chemical ID: 4509735

COc1ccc(cc1OC)CCNC(=O)C2CCN(CC2)Cc3ccccc3Cl
Chemical ID:
4509735
Name [?]:
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1OC)CCNC(=O)C2CCN(CC2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C23H29ClN2O3/c1-28-21-8-7-17(15-22(21)29-2)9-12-25-23(27)18-10-13-26(14-11-18)16-19-5-3-4-6-20(19)24/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,10,25,26,24,27,5,4,11,17,21,12,18,20,7,22,6,16,23,28,3,8,14,29,13,19,15,2,9/E:(10,11)(13,14)/rA:29nCOCCCCCCOCCCNCOCCCNCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29ClN2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3099
Area:668.389
Solvation:-6.39987
Coulombic:-41.1553
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.941
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.53
LogP (Chemaxon):3.41

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Descriptor Annotations

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