1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone

C18H20N2OS — CID 817623

IUPAC1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(15-22-17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyLEYSMPANZFBHNT-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone

1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone (PubChem CID 817623) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone
PubChem CID817623
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(15-22-17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyLEYSMPANZFBHNT-UHFFFAOYSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone (CID 817623) is 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is LEYSMPANZFBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(15-22-17-9-5-2-6-10-17)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 312.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 817623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).