1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone

C19H22N2OS — CID 39073649

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESCc1cccc(N2CCN(C(=O)CSc3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2OS/c1-16-6-5-7-17(14-16)20-10-12-21(13-11-20)19(22)15-23-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3
InChIKeyRUHPKFCZAREQDW-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone

1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone (PubChem CID 39073649) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
PubChem CID39073649
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESCc1cccc(N2CCN(C(=O)CSc3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2OS/c1-16-6-5-7-17(14-16)20-10-12-21(13-11-20)19(22)15-23-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3
InChIKeyRUHPKFCZAREQDW-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanone
CID 50836121
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
CID 50835964
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 24567807
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone (CID 39073649) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone is Cc1cccc(N2CCN(C(=O)CSc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is RUHPKFCZAREQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-16-6-5-7-17(14-16)20-10-12-21(13-11-20)19(22)15-23-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 326.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 39073649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).