Chemical ID: 5175717

COc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)c4ccccc4
Chemical ID:
5175717
Name [?]:
N-(2-methoxyphenyl)-1-(4-phenylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C26H26N2O3/c1-31-24-10-6-5-9-23(24)27-25(29)21-15-17-28(18-16-21)26(30)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,21H,15-18H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,6,5,27,31,7,4,22,24,21,25,13,17,14,16,26,23,12,20,8,3,10,18,9,15,11,19,2/E:(3,4)(7,8)(11,12)(13,14)(15,16)(17,18)/rA:31nCOCCCCCCNCOCCCNCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8989
Area:651.798
Solvation:-4.39604
Coulombic:-48.1198
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.496
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.7
LogP (Chemaxon):4.21

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Descriptor Annotations

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