6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one

C20H25N3O4S — CID 55836861

IUPAC6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O4S/c1-14(2)16-5-7-17(8-6-16)28(26,27)23-12-10-22(11-13-23)20(25)18-9-4-15(3)21-19(18)24/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyPYNGOHBYPGMKSF-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.95
Rot. Bonds4

About 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 55836861) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID55836861
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O4S/c1-14(2)16-5-7-17(8-6-16)28(26,27)23-12-10-22(11-13-23)20(25)18-9-4-15(3)21-19(18)24/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyPYNGOHBYPGMKSF-UHFFFAOYSA-N
XLogP1.95
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 55822523
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 33154435
(5-methylfuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344084
[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26267145
3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24608162
(2,6-difluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4249772
(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17489584
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 2711263
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one (CID 55836861) is 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PYNGOHBYPGMKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)16-5-7-17(8-6-16)28(26,27)23-12-10-22(11-13-23)20(25)18-9-4-15(3)21-19(18)24/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 403.50 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 55836861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).