1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one

C17H19N3O2 — CID 82521316

IUPAC1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one
SMILESCn1c(-c2ccccc2)ccc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C17H19N3O2/c1-19-15(13-5-3-2-4-6-13)8-7-14(16(19)21)17(22)20-11-9-18-10-12-20/h2-8,18H,9-12H2,1H3
InChIKeyKJLTWWAKNCKZJH-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.10
Rot. Bonds2

About 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one

1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 82521316) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID82521316
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one
SMILESCn1c(-c2ccccc2)ccc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C17H19N3O2/c1-19-15(13-5-3-2-4-6-13)8-7-14(16(19)21)17(22)20-11-9-18-10-12-20/h2-8,18H,9-12H2,1H3
InChIKeyKJLTWWAKNCKZJH-UHFFFAOYSA-N
XLogP1.10
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethane;phenyl(piperazin-1-yl)methanone
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1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
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2-(piperazine-1-carbonyl)benzoyl chloride
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(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 53016708
1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 119166422
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
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(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
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(2-nitrophenyl)-piperazin-1-ylmethanone;piperazine
CID 174837455

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one (CID 82521316) is 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one is Cn1c(-c2ccccc2)ccc(C(=O)N2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is KJLTWWAKNCKZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-15(13-5-3-2-4-6-13)8-7-14(16(19)21)17(22)20-11-9-18-10-12-20/h2-8,18H,9-12H2,1H3.
What are the key properties of 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one?
1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 82521316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).