Chemical ID: 4408334

CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccccc3C
Chemical ID:
4408334
Name [?]:
N-(2-ethoxyphenyl)-1-(2-methylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccccc3C
InChi [?]:
InChI=1/C22H26N2O3/c1-3-27-20-11-7-6-10-19(20)23-21(25)17-12-14-24(15-13-17)22(26)18-9-5-4-8-16(18)2/h4-11,17H,3,12-15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,24,23,7,6,25,22,8,5,14,18,15,17,26,13,21,9,4,11,19,10,16,12,20,3/E:(12,13)(14,15)/rA:27nCCOCCCCCCNCOCCCNCCCOCCCCCCC/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0202
Area:594.379
Solvation:-3.83928
Coulombic:-46.9504
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.454
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.62
LogP (Chemaxon):3.34

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Descriptor Annotations

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