Chemical ID: 4203974

COc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cccc(c3OC)OC
Chemical ID:
4203974
Name [?]:
1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cccc(c3OC)OC
InChi [?]:
InChI=1/C23H30N2O4/c1-27-20-9-7-17(8-10-20)15-24-23(26)18-11-13-25(14-12-18)16-19-5-4-6-21(28-2)22(19)29-3/h4-10,18H,11-16H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,29,27,22,21,23,5,7,4,8,14,18,15,17,9,19,6,13,20,3,24,25,11,10,16,12,2,28,26/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCOCCCCCCCNCOCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s25;s26;s24;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.31604
Area:638.884
Solvation:-6.65607
Coulombic:-48.4291
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:398.495
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):2.39

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Descriptor Annotations

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