Chemical ID: 6718466

c1ccc(cc1)NC(=O)N2CCCCC2c3ccc[nH+]c3
Chemical ID:
6718466
Name [?]:
N-phenyl-2-(1H-pyridin-5-yl)piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)N2CCCCC2c3ccc[nH+]c3
InChi [?]:
InChI=1/C17H19N3O/c21-17(19-15-8-2-1-3-9-15)20-12-5-4-10-16(20)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,19,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,18,17,3,5,14,19,11,21,16,4,15,8,20,7,10,9/E:(2,3)(8,9)/rA:21cCCCCCCNCONCCCCCCCCCN+C/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N3O+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-20.8119
Area:458.44
Solvation:-32.2729
Coulombic:-25.1956
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.36
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.48
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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