2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone

C19H28N4O4S — CID 26552718

IUPAC2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N4O4S/c1-17(24)21-9-7-20(8-10-21)15-19(25)22-11-13-23(14-12-22)28(26,27)16-18-5-3-2-4-6-18/h2-6H,7-16H2,1H3
InChIKeyAWZYMATXYBMZCD-UHFFFAOYSA-N
MW408.52 g/mol
LogP-0.18
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone

2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone (PubChem CID 26552718) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
PubChem CID26552718
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N4O4S/c1-17(24)21-9-7-20(8-10-21)15-19(25)22-11-13-23(14-12-22)28(26,27)16-18-5-3-2-4-6-18/h2-6H,7-16H2,1H3
InChIKeyAWZYMATXYBMZCD-UHFFFAOYSA-N
XLogP-0.18
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-benzylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55686496
3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 27757416
3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 78860534
1-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-chloroethanone
CID 156907199
1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 110818901
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
2-(4-aminophenyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 119687217
3-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911648
4-amino-1-(4-benzylsulfonylpiperazin-1-yl)-3-methoxybutan-1-one
CID 120587104

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone (CID 26552718) is 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone is CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is AWZYMATXYBMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-17(24)21-9-7-20(8-10-21)15-19(25)22-11-13-23(14-12-22)28(26,27)16-18-5-3-2-4-6-18/h2-6H,7-16H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone?
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 408.52 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 26552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).