4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C13H19N3O2 — CID 103805470

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(N)C1CCCCN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H19N3O2/c1-9(14)11-4-2-3-7-16(11)13(18)10-5-6-15-12(17)8-10/h5-6,8-9,11H,2-4,7,14H2,1H3,(H,15,17)
InChIKeyKLVFDXUYSUUOQY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds2

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 103805470) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID103805470
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(N)C1CCCCN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H19N3O2/c1-9(14)11-4-2-3-7-16(11)13(18)10-5-6-15-12(17)8-10/h5-6,8-9,11H,2-4,7,14H2,1H3,(H,15,17)
InChIKeyKLVFDXUYSUUOQY-UHFFFAOYSA-N
XLogP0.72
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 103765202
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569318
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569319
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119436534
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 103805470) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(N)C1CCCCN1C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is KLVFDXUYSUUOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(14)11-4-2-3-7-16(11)13(18)10-5-6-15-12(17)8-10/h5-6,8-9,11H,2-4,7,14H2,1H3,(H,15,17).
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 103805470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).