Chemical ID: 4123526

CC1CCCCN1c2ccc(cc2C(=O)N)N
Chemical ID:
4123526
Name [?]:
5-amino-2-(2-methyl-1-piperidyl)-benzamide
SMILES [?]:
CC1CCCCN1c2ccc(cc2C(=O)N)N
InChi [?]:
InChI=1/C13H19N3O/c1-9-4-2-3-7-16(9)12-6-5-10(14)8-11(12)13(15)17/h5-6,8-9H,2-4,7,14H2,1H3,(H2,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,10,9,6,12,2,11,13,8,14,17,16,7,15/rA:17cCCCCCCNCCCCCCCONN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.08606
Area:392.74
Solvation:-2.73244
Coulombic:-47.682
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.31
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):1.31

Name Annotations

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Descriptor Annotations

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