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

C14H18N2O2S — CID 39073681

IUPAC1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESCC(=O)N1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C14H18N2O2S/c1-12(17)15-7-9-16(10-8-15)14(18)11-19-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyZBDDSSSBQOEHBL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.47
Rot. Bonds3

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

1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone (PubChem CID 39073681) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
PubChem CID39073681
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESCC(=O)N1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C14H18N2O2S/c1-12(17)15-7-9-16(10-8-15)14(18)11-19-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyZBDDSSSBQOEHBL-UHFFFAOYSA-N
XLogP1.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
CID 56783474
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8819417
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 122135601
1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43908594
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306
2-[1-(2-phenylsulfanylacetyl)azetidin-3-yl]propanoic acid
CID 116681574
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7676494
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-tert-butylphenyl)sulfanylethanone
CID 78848630
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone (CID 39073681) is 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone is CC(=O)N1CCN(C(=O)CSc2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is ZBDDSSSBQOEHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-12(17)15-7-9-16(10-8-15)14(18)11-19-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone?
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 278.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 39073681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).