[4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone

C16H23N3O3S — CID 2929432

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(17-9-5-2-6-10-17)18-11-13-19(14-12-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyOTMFPIMAVATJCD-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.60
Rot. Bonds2

About [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone

[4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 2929432) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID2929432
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O3S/c20-16(17-9-5-2-6-10-17)18-11-13-19(14-12-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyOTMFPIMAVATJCD-UHFFFAOYSA-N
XLogP1.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone (CID 2929432) is [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is OTMFPIMAVATJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(17-9-5-2-6-10-17)18-11-13-19(14-12-18)23(21,22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone?
[4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 337.44 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2929432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).