4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one

C16H21N3O4S — CID 75474370

IUPAC4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)CCN1
InChIInChI=1S/C16H21N3O4S/c20-15-12-19(10-8-17-15)24(22,23)14-7-4-9-18(11-14)16(21)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,20)
InChIKeyRLVJNDBMGVPVCC-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.05
Rot. Bonds3

About 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one

4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one (PubChem CID 75474370) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
PubChem CID75474370
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)CCN1
InChIInChI=1S/C16H21N3O4S/c20-15-12-19(10-8-17-15)24(22,23)14-7-4-9-18(11-14)16(21)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,20)
InChIKeyRLVJNDBMGVPVCC-UHFFFAOYSA-N
XLogP0.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119578328
4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 139000610
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
CID 75474607
1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
CID 75474606
4-cyclohexylsulfonyl-1,4-diazepan-2-one
CID 63822158
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one (CID 75474370) is 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)CCN1.
What is the InChIKey of 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one?
The InChIKey is RLVJNDBMGVPVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-15-12-19(10-8-17-15)24(22,23)14-7-4-9-18(11-14)16(21)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,20).
What are the key properties of 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one?
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one has a molecular weight of 351.43 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 75474370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).