(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one

C20H24N2O2S — CID 7759872

IUPAC(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16(25-19-6-4-3-5-7-19)20(23)22-14-12-21(13-15-22)17-8-10-18(24-2)11-9-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1
InChIKeyQIYRSXYLBONUDP-INIZCTEOSA-N
MW356.49 g/mol
LogP3.52
Rot. Bonds5

About (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one

(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one (PubChem CID 7759872) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
PubChem CID7759872
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
SMILESCOc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16(25-19-6-4-3-5-7-19)20(23)22-14-12-21(13-15-22)17-8-10-18(24-2)11-9-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1
InChIKeyQIYRSXYLBONUDP-INIZCTEOSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2S)-1-[4-(4-methoxyphenyl)piperazin-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

(2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 987992
2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 46771977
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 46619643
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one
CID 39073895
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 39073793
2-(4-methoxyphenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 132763457
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)sulfanylpropan-1-one
CID 10644381

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The IUPAC name of (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one (CID 7759872) is (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one is COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The InChIKey is QIYRSXYLBONUDP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16(25-19-6-4-3-5-7-19)20(23)22-14-12-21(13-15-22)17-8-10-18(24-2)11-9-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one has a molecular weight of 356.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 7759872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).