[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone

C16H23N3O3S — CID 119678305

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(15-8-4-5-9-17-15)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2/t15-/m0/s1
InChIKeyJTAYJXABNSJVSP-HNNXBMFYSA-N
MW337.44 g/mol
LogP0.66
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone (PubChem CID 119678305) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
PubChem CID119678305
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(15-8-4-5-9-17-15)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2/t15-/m0/s1
InChIKeyJTAYJXABNSJVSP-HNNXBMFYSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119302923
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 119265307
piperidin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266631
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265303
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295058
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265592
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide;hydrochloride
CID 119295057
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119276101
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone (CID 119678305) is [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
The InChIKey is JTAYJXABNSJVSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(15-8-4-5-9-17-15)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2/t15-/m0/s1.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone has a molecular weight of 337.44 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 119678305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).