5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one

C13H19N3O2 — CID 103821481

IUPAC5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(N)CC2C)c[nH]1
InChIInChI=1S/C13H19N3O2/c1-8-5-12(17)11(7-15-8)13(18)16-4-3-10(14)6-9(16)2/h5,7,9-10H,3-4,6,14H2,1-2H3,(H,15,17)
InChIKeyRKCOWTDHUVJBCZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.64
Rot. Bonds1

About 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one

5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 103821481) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
PubChem CID103821481
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(N)CC2C)c[nH]1
InChIInChI=1S/C13H19N3O2/c1-8-5-12(17)11(7-15-8)13(18)16-4-3-10(14)6-9(16)2/h5,7,9-10H,3-4,6,14H2,1-2H3,(H,15,17)
InChIKeyRKCOWTDHUVJBCZ-UHFFFAOYSA-N
XLogP0.64
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one (CID 103821481) is 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC(N)CC2C)c[nH]1.
What is the InChIKey of 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is RKCOWTDHUVJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-12(17)11(7-15-8)13(18)16-4-3-10(14)6-9(16)2/h5,7,9-10H,3-4,6,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103821481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).