4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one

C14H26N2O3S — CID 126811607

IUPAC4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(S(=O)(=O)CC2CCCC2)CC1=O
InChIInChI=1S/C14H26N2O3S/c1-12(2)9-15-7-8-16(10-14(15)17)20(18,19)11-13-5-3-4-6-13/h12-13H,3-11H2,1-2H3
InChIKeyHQMSDVRCCLKWHU-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.31
Rot. Bonds5

About 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one

4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one (PubChem CID 126811607) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one
PubChem CID126811607
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(S(=O)(=O)CC2CCCC2)CC1=O
InChIInChI=1S/C14H26N2O3S/c1-12(2)9-15-7-8-16(10-14(15)17)20(18,19)11-13-5-3-4-6-13/h12-13H,3-11H2,1-2H3
InChIKeyHQMSDVRCCLKWHU-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one (CID 126811607) is 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(S(=O)(=O)CC2CCCC2)CC1=O.
What is the InChIKey of 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is HQMSDVRCCLKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-12(2)9-15-7-8-16(10-14(15)17)20(18,19)11-13-5-3-4-6-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one?
4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 302.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 126811607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).