3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one

C12H17N3O2 — CID 129493140

IUPAC3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCC[C@@H](N)C2)c1=O
InChIInChI=1S/C12H17N3O2/c1-14-6-3-5-10(11(14)16)12(17)15-7-2-4-9(13)8-15/h3,5-6,9H,2,4,7-8,13H2,1H3/t9-/m1/s1
InChIKeyDZODVBCSIIBDBQ-SECBINFHSA-N
MW235.29 g/mol
LogP-0.05
Rot. Bonds1

About 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one

3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 129493140) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID129493140
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCC[C@@H](N)C2)c1=O
InChIInChI=1S/C12H17N3O2/c1-14-6-3-5-10(11(14)16)12(17)15-7-2-4-9(13)8-15/h3,5-6,9H,2,4,7-8,13H2,1H3/t9-/m1/s1
InChIKeyDZODVBCSIIBDBQ-SECBINFHSA-N
XLogP-0.05
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
(3-aminopiperidin-1-yl)-(1-methylindol-7-yl)methanone
CID 112531045
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
(3-aminopiperidin-1-yl)-(2-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119377680
1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 154883990
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one (CID 129493140) is 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cccc(C(=O)N2CCC[C@@H](N)C2)c1=O.
What is the InChIKey of 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is DZODVBCSIIBDBQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-6-3-5-10(11(14)16)12(17)15-7-2-4-9(13)8-15/h3,5-6,9H,2,4,7-8,13H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 129493140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).