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Chemical ID: 7274946
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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Experimental Annotations
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Descriptor Annotations
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