2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H27N3O4S — CID 4844878

IUPAC2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-15(19(24)21-9-3-4-10-21)20-11-13-22(14-12-20)27(25,26)18-7-5-17(6-8-18)16(2)23/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyQQWSPUSCMJRAJN-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 4844878) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID4844878
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-15(19(24)21-9-3-4-10-21)20-11-13-22(14-12-20)27(25,26)18-7-5-17(6-8-18)16(2)23/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyQQWSPUSCMJRAJN-UHFFFAOYSA-N
XLogP1.21
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 4844878) is 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QQWSPUSCMJRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-15(19(24)21-9-3-4-10-21)20-11-13-22(14-12-20)27(25,26)18-7-5-17(6-8-18)16(2)23/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 393.51 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 4844878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).