5-amino-2-(4-methylpiperidin-1-yl)benzamide

5-amino-2-(4-methylpiperidin-1-yl)benzamide

CAS: 510764-27-9

Formula: C13H19N3O

SMILES: CC1CCN(CC1)C1=C(C=C(N)C=C1)C(N)=O

IUPAC: 5-amino-2-(4-methylpiperidin-1-yl)benzamide

InChI: InChI=1S/C13H19N3O/c1-9-4-6-16(7-5-9)12-3-2-10(14)8-11(12)13(15)17/h2-3,8-9H,4-7,14H2,1H3,(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	0
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	ZSFUVIVVIUJUAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.96
Topological Polar Surface Area	72.35
Polarizability	25.76
Ring Count	2
Rotatable Bond Count	2

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