1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone

C11H21N3O3S — CID 2238783

IUPAC1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H2,1H3
InChIKeyLFMPVVKXTNHGFT-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.12
Rot. Bonds2

About 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone

1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 2238783) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID2238783
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H2,1H3
InChIKeyLFMPVVKXTNHGFT-UHFFFAOYSA-N
XLogP-0.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone (CID 2238783) is 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone is CC(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is LFMPVVKXTNHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone?
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 275.37 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2238783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).