1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one

C15H20N2O4S — CID 110294965

IUPAC1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O4S/c1-13(18)16-8-10-17(11-9-16)15(19)7-12-22(20,21)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyUDKQZDVTMJHAEY-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.54
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one (PubChem CID 110294965) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
PubChem CID110294965
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O4S/c1-13(18)16-8-10-17(11-9-16)15(19)7-12-22(20,21)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyUDKQZDVTMJHAEY-UHFFFAOYSA-N
XLogP0.54
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
3-(benzenesulfonyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80702618
3-(benzenesulfonyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 17449768
3-(benzenesulfonyl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 17310076
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194
1-(azepan-1-yl)-3-(4-phenylphenyl)sulfonylpropan-1-one
CID 110675677
3-(benzenesulfonyl)-1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]propan-1-one
CID 74234702
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852577
1-[3-(benzenesulfonyl)propanoyl]-1,4-diazepan-5-one
CID 62045405
3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one (CID 110294965) is 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one is CC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one?
The InChIKey is UDKQZDVTMJHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-13(18)16-8-10-17(11-9-16)15(19)7-12-22(20,21)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one has a molecular weight of 324.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one is sourced from PubChem (CID 110294965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).