6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one

C13H19N3O4S — CID 74232175

IUPAC6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4S/c1-3-11-8-10(9-12(17)14-11)13(18)15-4-6-16(7-5-15)21(2,19)20/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyLMVJQGJUZVEYOH-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.35
Rot. Bonds3

About 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one

6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 74232175) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one
PubChem CID74232175
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4S/c1-3-11-8-10(9-12(17)14-11)13(18)15-4-6-16(7-5-15)21(2,19)20/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyLMVJQGJUZVEYOH-UHFFFAOYSA-N
XLogP-0.35
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one (CID 74232175) is 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one is CCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is LMVJQGJUZVEYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-3-11-8-10(9-12(17)14-11)13(18)15-4-6-16(7-5-15)21(2,19)20/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one?
6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 313.38 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 74232175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).