5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C20H25N3O3 — CID 157011868

IUPAC5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H25N3O3/c1-13(2)19-16(4-5-17(24)21-19)20(26)23-10-7-14(8-11-23)15-6-9-22(3)18(25)12-15/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyQGPJVZAGXINOQH-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.22
Rot. Bonds3

About 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 157011868) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID157011868
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H25N3O3/c1-13(2)19-16(4-5-17(24)21-19)20(26)23-10-7-14(8-11-23)15-6-9-22(3)18(25)12-15/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyQGPJVZAGXINOQH-UHFFFAOYSA-N
XLogP2.22
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377733
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 157013120
(4aS,8aR)-6-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 163308036
1-methyl-4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]pyridin-2-one
CID 138381677
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 156584269
5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 162632260
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016
4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride
CID 171707965

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 157011868) is 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)ccc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is QGPJVZAGXINOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)19-16(4-5-17(24)21-19)20(26)23-10-7-14(8-11-23)15-6-9-22(3)18(25)12-15/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,24).
What are the key properties of 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 157011868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).