1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one

C14H26N2O3S — CID 75432099

IUPAC1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one
SMILESCS(=O)(=O)CCCN1CCN(CC2CCCC2)C(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-20(18,19)10-4-7-15-8-9-16(14(17)12-15)11-13-5-2-3-6-13/h13H,2-12H2,1H3
InChIKeyRIMHJEWRIWEPGK-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.76
Rot. Bonds6

About 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one

1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one (PubChem CID 75432099) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one
PubChem CID75432099
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one
SMILESCS(=O)(=O)CCCN1CCN(CC2CCCC2)C(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-20(18,19)10-4-7-15-8-9-16(14(17)12-15)11-13-5-2-3-6-13/h13H,2-12H2,1H3
InChIKeyRIMHJEWRIWEPGK-UHFFFAOYSA-N
XLogP0.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one (CID 75432099) is 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one is CS(=O)(=O)CCCN1CCN(CC2CCCC2)C(=O)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one?
The InChIKey is RIMHJEWRIWEPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-20(18,19)10-4-7-15-8-9-16(14(17)12-15)11-13-5-2-3-6-13/h13H,2-12H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one?
1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one has a molecular weight of 302.44 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one is sourced from PubChem (CID 75432099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).