1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one

C12H17N3O4S — CID 75461426

IUPAC1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
SMILESCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1=O
InChIInChI=1S/C12H17N3O4S/c1-13-9-10(3-4-11(13)16)12(17)14-5-7-15(8-6-14)20(2,18)19/h3-4,9H,5-8H2,1-2H3
InChIKeyQAIUSZMKGWEWRS-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.90
Rot. Bonds2

About 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one

1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 75461426) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID75461426
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
SMILESCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1=O
InChIInChI=1S/C12H17N3O4S/c1-13-9-10(3-4-11(13)16)12(17)14-5-7-15(8-6-14)20(2,18)19/h3-4,9H,5-8H2,1-2H3
InChIKeyQAIUSZMKGWEWRS-UHFFFAOYSA-N
XLogP-0.90
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235
1-methyl-5-(3-propanoylimidazolidine-1-carbonyl)pyridin-2-one
CID 128893120
(4-aminophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
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1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
CID 95873949
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
CID 110804490
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
3-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110804558
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one (CID 75461426) is 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one is Cn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is QAIUSZMKGWEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-13-9-10(3-4-11(13)16)12(17)14-5-7-15(8-6-14)20(2,18)19/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 299.35 g/mol, XLogP of -0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 75461426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).