2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C25H32N4O4S — CID 132773685

IUPAC2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1c1ccccc1
InChIInChI=1S/C25H32N4O4S/c1-20(30)29-17-16-27(18-24(29)21-8-4-2-5-9-21)19-25(31)26-22-10-12-23(13-11-22)34(32,33)28-14-6-3-7-15-28/h2,4-5,8-13,24H,3,6-7,14-19H2,1H3,(H,26,31)
InChIKeySWGYGXBDULZRKX-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 132773685) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID132773685
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1c1ccccc1
InChIInChI=1S/C25H32N4O4S/c1-20(30)29-17-16-27(18-24(29)21-8-4-2-5-9-21)19-25(31)26-22-10-12-23(13-11-22)34(32,33)28-14-6-3-7-15-28/h2,4-5,8-13,24H,3,6-7,14-19H2,1H3,(H,26,31)
InChIKeySWGYGXBDULZRKX-UHFFFAOYSA-N
XLogP2.71
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 11940617
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8899749
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818491
1-[4-(4-fluorophenyl)sulfonyl-2-phenylpiperazin-1-yl]ethanone
CID 118727891
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818382
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 2975834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41214600

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 132773685) is 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1c1ccccc1.
What is the InChIKey of 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SWGYGXBDULZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-20(30)29-17-16-27(18-24(29)21-8-4-2-5-9-21)19-25(31)26-22-10-12-23(13-11-22)34(32,33)28-14-6-3-7-15-28/h2,4-5,8-13,24H,3,6-7,14-19H2,1H3,(H,26,31).
What are the key properties of 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 484.62 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 132773685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).