1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one

C14H26N4O3S — CID 136561193

IUPAC1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CCCN(S(=O)(=O)C2CCCNC2)C1
InChIInChI=1S/C14H26N4O3S/c19-14-10-16-6-8-18(14)12-3-2-7-17(11-12)22(20,21)13-4-1-5-15-9-13/h12-13,15-16H,1-11H2
InChIKeyLLHOLNFHIFFDFO-UHFFFAOYSA-N
MW330.45 g/mol
LogP-1.04
Rot. Bonds3

About 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one

1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one (PubChem CID 136561193) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
PubChem CID136561193
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CCCN(S(=O)(=O)C2CCCNC2)C1
InChIInChI=1S/C14H26N4O3S/c19-14-10-16-6-8-18(14)12-3-2-7-17(11-12)22(20,21)13-4-1-5-15-9-13/h12-13,15-16H,1-11H2
InChIKeyLLHOLNFHIFFDFO-UHFFFAOYSA-N
XLogP-1.04
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)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

Related Compounds

2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863813
1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712891
1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 126785320
1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
CID 124880693
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560492
3-methoxy-4-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 120875722
1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712913
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one?
The IUPAC name of 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one (CID 136561193) is 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one?
The canonical SMILES for 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one is O=C1CNCCN1C1CCCN(S(=O)(=O)C2CCCNC2)C1.
What is the InChIKey of 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one?
The InChIKey is LLHOLNFHIFFDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S/c19-14-10-16-6-8-18(14)12-3-2-7-17(11-12)22(20,21)13-4-1-5-15-9-13/h12-13,15-16H,1-11H2.
What are the key properties of 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one?
1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one has a molecular weight of 330.45 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one is sourced from PubChem (CID 136561193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).