Chemical ID: 7274946

CC1CCCN(C1)C(C)C(=O)Nc2ccccc2C#N
Chemical ID:
7274946
Name [?]:
N-(2-cyanophenyl)-2-(3-methyl-1-piperidyl)-propanamide
SMILES [?]:
CC1CCCN(C1)C(C)C(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C16H21N3O/c1-12-6-5-9-19(11-12)13(2)16(20)18-15-8-4-3-7-14(15)10-17/h3-4,7-8,12-13H,5-6,9,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,9,16,15,4,3,17,14,5,19,7,2,8,18,13,10,20,12,6,11/rA:20cCCCCCNCCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O
All Atoms:41
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:9.35938
Area:474.535
Solvation:-2.50398
Coulombic:-30.2688
Bond Count [?]
All:21
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.358
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):2.72

Name Annotations

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Descriptor Annotations

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