1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one

C15H22N2O3S — CID 110708340

IUPAC1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
SMILESCC1C(=O)N(C)CCN1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-13-15(18)16(2)10-11-17(13)21(19,20)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3
InChIKeyKLUMIWYTZGEJSX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.11
Rot. Bonds5

About 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one

1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one (PubChem CID 110708340) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
PubChem CID110708340
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
SMILESCC1C(=O)N(C)CCN1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-13-15(18)16(2)10-11-17(13)21(19,20)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3
InChIKeyKLUMIWYTZGEJSX-UHFFFAOYSA-N
XLogP1.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110419968
(3-methylpiperidin-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone
CID 113005867
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
CID 110740910
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
CID 24974613
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
4-(3-phenylpropylsulfonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 110290144

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one (CID 110708340) is 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one is CC1C(=O)N(C)CCN1S(=O)(=O)CCCc1ccccc1.
What is the InChIKey of 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
The InChIKey is KLUMIWYTZGEJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-13-15(18)16(2)10-11-17(13)21(19,20)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one?
1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one is sourced from PubChem (CID 110708340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).