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Chemical ID: 4123526
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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Experimental Annotations
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Descriptor Annotations
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