4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one

C11H19N3O4S — CID 35795581

IUPAC4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCNC(=O)C2)CC1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)14-5-2-9(3-6-14)11(16)13-7-4-12-10(15)8-13/h9H,2-8H2,1H3,(H,12,15)
InChIKeyLNPFHJABBFLSTQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.38
Rot. Bonds2

About 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one

4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one (PubChem CID 35795581) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
PubChem CID35795581
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCNC(=O)C2)CC1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)14-5-2-9(3-6-14)11(16)13-7-4-12-10(15)8-13/h9H,2-8H2,1H3,(H,12,15)
InChIKeyLNPFHJABBFLSTQ-UHFFFAOYSA-N
XLogP-1.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one (CID 35795581) is 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one is CS(=O)(=O)N1CCC(C(=O)N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one?
The InChIKey is LNPFHJABBFLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-19(17,18)14-5-2-9(3-6-14)11(16)13-7-4-12-10(15)8-13/h9H,2-8H2,1H3,(H,12,15).
What are the key properties of 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one?
4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one has a molecular weight of 289.36 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 35795581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).