5-amino-2-(3-methylpiperidin-1-yl)benzamide

5-amino-2-(3-methylpiperidin-1-yl)benzamide

CAS: 799258-22-3

Formula: C13H19N3O

SMILES: CC1CCCN(C1)C1=C(C=C(N)C=C1)C(N)=O

IUPAC: 5-amino-2-(3-methylpiperidin-1-yl)benzamide

InChI: InChI=1/C13H19N3O/c1-9-3-2-6-16(8-9)12-5-4-10(14)7-11(12)13(15)17/h4-5,7,9H,2-3,6,8,14H2,1H3,(H2,15,17)

Composition: C (66.92%), H (8.21%), N (18.01%), O (6.86%)

Molar Mass: 233.315

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	233.152812244
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VYEVJRMTDVDEME-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.88
Topological Polar Surface Area	72.35
Polarizability	25.76
Ring Count	2
Rotatable Bond Count	2

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