4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one

C13H17N3O4S — CID 139023028

IUPAC4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(S(=O)(=O)C3CC3)CC2=O)ccn1
InChIInChI=1S/C13H17N3O4S/c1-20-12-8-10(4-5-14-12)16-7-6-15(9-13(16)17)21(18,19)11-2-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyYJAWXIKZEVTNHG-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.23
Rot. Bonds4

About 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one

4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one (PubChem CID 139023028) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
PubChem CID139023028
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(S(=O)(=O)C3CC3)CC2=O)ccn1
InChIInChI=1S/C13H17N3O4S/c1-20-12-8-10(4-5-14-12)16-7-6-15(9-13(16)17)21(18,19)11-2-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyYJAWXIKZEVTNHG-UHFFFAOYSA-N
XLogP0.23
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The IUPAC name of 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one (CID 139023028) is 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one is COc1cc(N2CCN(S(=O)(=O)C3CC3)CC2=O)ccn1.
What is the InChIKey of 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The InChIKey is YJAWXIKZEVTNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-20-12-8-10(4-5-14-12)16-7-6-15(9-13(16)17)21(18,19)11-2-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one has a molecular weight of 311.36 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one is sourced from PubChem (CID 139023028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).