1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one

C19H28N2O3S — CID 1096354

IUPAC1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/c22-19(11-10-17-6-4-5-7-17)20-12-14-21(15-13-20)25(23,24)16-18-8-2-1-3-9-18/h1-3,8-9,17H,4-7,10-16H2
InChIKeyDGFURMWXGGKROK-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one

1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one (PubChem CID 1096354) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one
PubChem CID1096354
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/c22-19(11-10-17-6-4-5-7-17)20-12-14-21(15-13-20)25(23,24)16-18-8-2-1-3-9-18/h1-3,8-9,17H,4-7,10-16H2
InChIKeyDGFURMWXGGKROK-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one (CID 1096354) is 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
The InChIKey is DGFURMWXGGKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-19(11-10-17-6-4-5-7-17)20-12-14-21(15-13-20)25(23,24)16-18-8-2-1-3-9-18/h1-3,8-9,17H,4-7,10-16H2.
What are the key properties of 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one has a molecular weight of 364.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 1096354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).