1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone

C19H22N2O2S — CID 938245

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESCOc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(22)15-24-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyTWVXNXCPVXTORO-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.14
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone (PubChem CID 938245) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
PubChem CID938245
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESCOc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(22)15-24-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyTWVXNXCPVXTORO-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
N-(4-Methoxyphenyl)-2-(4-phenyl-1-piperazinyl)acetamide
CID 975074
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 2441315
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 2441633
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 4620189
N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4983381
4-(4-Methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 753453
N-(4-Methoxy-phenyl)-2-{4-[(4-methoxy-phenylcarbamoyl)-methyl]-piperazin-1-yl}-acetamide
CID 1146672
1-(4-Fluorophenyl)-4-{3-[(4-methoxyphenyl)sulfonyl]propanoyl}piperazine
CID 3355141
3-(4-Methoxybenzenesulfonyl)-1-[4-(4-nitrophenyl)piperazin-1-YL]propan-1-one
CID 24789921

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone (CID 938245) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone is COc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is TWVXNXCPVXTORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(22)15-24-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 342.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 938245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).