3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride

C12H18ClN3O2 — CID 119381683

IUPAC3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(N)C2)c(=O)[nH]1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-8-4-5-10(11(16)14-8)12(17)15-6-2-3-9(13)7-15;/h4-5,9H,2-3,6-7,13H2,1H3,(H,14,16);1H
InChIKeyZRQGLZMQOTZWDY-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.67
Rot. Bonds1

About 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride

3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 119381683) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID119381683
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(N)C2)c(=O)[nH]1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-8-4-5-10(11(16)14-8)12(17)15-6-2-3-9(13)7-15;/h4-5,9H,2-3,6-7,13H2,1H3,(H,14,16);1H
InChIKeyZRQGLZMQOTZWDY-UHFFFAOYSA-N
XLogP0.67
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
CID 128952319
(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride (CID 119381683) is 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride is Cc1ccc(C(=O)N2CCCC(N)C2)c(=O)[nH]1.Cl.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is ZRQGLZMQOTZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-8-4-5-10(11(16)14-8)12(17)15-6-2-3-9(13)7-15;/h4-5,9H,2-3,6-7,13H2,1H3,(H,14,16);1H.
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 119381683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).