4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one

C19H21N3O4S — CID 134161192

IUPAC4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one
SMILESCS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccn3)C(=O)C2)cc1
InChIInChI=1S/C19H21N3O4S/c1-27(25,26)16-8-5-15(6-9-16)7-10-18(23)21-12-13-22(19(24)14-21)17-4-2-3-11-20-17/h2-6,8-9,11H,7,10,12-14H2,1H3
InChIKeyMDAGTZLLGYDGHD-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.29
Rot. Bonds5

About 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one

4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one (PubChem CID 134161192) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one
PubChem CID134161192
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one
SMILESCS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccn3)C(=O)C2)cc1
InChIInChI=1S/C19H21N3O4S/c1-27(25,26)16-8-5-15(6-9-16)7-10-18(23)21-12-13-22(19(24)14-21)17-4-2-3-11-20-17/h2-6,8-9,11H,7,10,12-14H2,1H3
InChIKeyMDAGTZLLGYDGHD-UHFFFAOYSA-N
XLogP1.29
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfonylphenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124891232
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
CID 131702175
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 32646466
4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one
CID 134160857
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110678855
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one?
The IUPAC name of 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one (CID 134161192) is 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one?
The canonical SMILES for 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one is CS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccn3)C(=O)C2)cc1.
What is the InChIKey of 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one?
The InChIKey is MDAGTZLLGYDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-27(25,26)16-8-5-15(6-9-16)7-10-18(23)21-12-13-22(19(24)14-21)17-4-2-3-11-20-17/h2-6,8-9,11H,7,10,12-14H2,1H3.
What are the key properties of 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one?
4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one has a molecular weight of 387.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylsulfonylphenyl)propanoyl]-1-pyridin-2-ylpiperazin-2-one is sourced from PubChem (CID 134161192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).