3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C14H20N2O2 — CID 95976185

IUPAC3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)8-16(7-9)14(18)12-5-4-11(3)15-13(12)17/h4-5,9-10H,6-8H2,1-3H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyLFQZLJMLSLUPQS-NXEZZACHSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds1

About 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 95976185) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID95976185
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)8-16(7-9)14(18)12-5-4-11(3)15-13(12)17/h4-5,9-10H,6-8H2,1-3H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyLFQZLJMLSLUPQS-NXEZZACHSA-N
XLogP1.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138379735
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115696691
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
CID 128952319
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 115731600

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 95976185) is 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is LFQZLJMLSLUPQS-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-10(2)8-16(7-9)14(18)12-5-4-11(3)15-13(12)17/h4-5,9-10H,6-8H2,1-3H3,(H,15,17)/t9-,10-/m1/s1.
What are the key properties of 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 95976185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).