1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride

C16H24ClN3O4S — CID 119685697

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)N)CC2)cc1.Cl
InChIInChI=1S/C16H23N3O4S.ClH/c1-12(17)11-16(21)18-7-9-19(10-8-18)24(22,23)15-5-3-14(4-6-15)13(2)20;/h3-6,12H,7-11,17H2,1-2H3;1H
InChIKeyAIISDVGSWBTDPV-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.88
Rot. Bonds5

About 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride (PubChem CID 119685697) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
PubChem CID119685697
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)N)CC2)cc1.Cl
InChIInChI=1S/C16H23N3O4S.ClH/c1-12(17)11-16(21)18-7-9-19(10-8-18)24(22,23)15-5-3-14(4-6-15)13(2)20;/h3-6,12H,7-11,17H2,1-2H3;1H
InChIKeyAIISDVGSWBTDPV-UHFFFAOYSA-N
XLogP0.88
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
3-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 119696008
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-amino-3-methoxypropan-1-one
CID 120983396
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-4-methoxybutan-1-one
CID 55757653
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686891
4-[4-(3-ethyl-4-methylpentanoyl)piperazin-1-yl]sulfonylbenzoic acid
CID 119219491
trans-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230396
4-(4-acetylphenyl)sulfonyl-N-propan-2-ylpiperazine-1-carbothioamide
CID 8677216

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride (CID 119685697) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)N)CC2)cc1.Cl.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride?
The InChIKey is AIISDVGSWBTDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S.ClH/c1-12(17)11-16(21)18-7-9-19(10-8-18)24(22,23)15-5-3-14(4-6-15)13(2)20;/h3-6,12H,7-11,17H2,1-2H3;1H.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride is sourced from PubChem (CID 119685697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).