Chemical ID: 4509759

CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3cccc(c3O)OC
Chemical ID:
4509759
Name [?]:
N-benzyl-N-ethyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3cccc(c3O)OC
InChi [?]:
InChI=1/C23H30N2O3/c1-3-25(16-18-8-5-4-6-9-18)23(27)19-12-14-24(15-13-19)17-20-10-7-11-21(28-2)22(20)26/h4-11,19,26H,3,12-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,8,7,9,22,6,10,21,23,14,18,15,17,4,19,5,13,20,24,25,11,16,3,26,12,27/E:(5,6)(8,9)(12,13)(14,15)/rA:28nCCNCCCCCCCCOCCCNCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.0868
Area:615.514
Solvation:-5.30101
Coulombic:-46.0589
Bond Count [?]
All:30
Single:23
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.496
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):3.2

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Descriptor Annotations

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