1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one

C19H23N3O4S — CID 8638988

IUPAC1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)c1
InChIInChI=1S/C19H23N3O4S/c1-15-6-7-16(2)17(13-15)27(25,26)22-11-9-20(10-12-22)19(24)14-21-8-4-3-5-18(21)23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBLMHQQUXRMFKLD-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.00
Rot. Bonds4

About 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 8638988) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID8638988
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)c1
InChIInChI=1S/C19H23N3O4S/c1-15-6-7-16(2)17(13-15)27(25,26)22-11-9-20(10-12-22)19(24)14-21-8-4-3-5-18(21)23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBLMHQQUXRMFKLD-UHFFFAOYSA-N
XLogP1.00
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 24981246
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 24634807
1-(3,4-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 27514748
1-[2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-nitropyridin-2-one
CID 55402210
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 95971117
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18274303

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 8638988) is 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)c1.
What is the InChIKey of 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is BLMHQQUXRMFKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15-6-7-16(2)17(13-15)27(25,26)22-11-9-20(10-12-22)19(24)14-21-8-4-3-5-18(21)23/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 389.48 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 8638988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).