(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one

C15H20N2O2S — CID 39073895

IUPAC(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c1-12(20-14-6-4-3-5-7-14)15(19)17-10-8-16(9-11-17)13(2)18/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyZGVHODDAMBUCRR-GFCCVEGCSA-N
MW292.40 g/mol
LogP1.86
Rot. Bonds3

About (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one

(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one (PubChem CID 39073895) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one
PubChem CID39073895
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c1-12(20-14-6-4-3-5-7-14)15(19)17-10-8-16(9-11-17)13(2)18/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyZGVHODDAMBUCRR-GFCCVEGCSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-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

(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
(2R)-1-(4-benzylpiperidin-1-yl)-2-phenylsulfanylpropan-1-one
CID 2575053
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 46550455
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 46584944
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 39073793
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 78882190
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-bromophenyl)sulfanylpropan-1-one
CID 78898430
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 4808839
2-(3-acetylphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 64661117
(2S)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 41275047

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one (CID 39073895) is (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one is CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one?
The InChIKey is ZGVHODDAMBUCRR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12(20-14-6-4-3-5-7-14)15(19)17-10-8-16(9-11-17)13(2)18/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one?
(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one has a molecular weight of 292.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 39073895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).