2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C19H28N4O4S — CID 95149181

IUPAC2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-28(26,27)23-10-7-16(8-11-23)21-18(24)13-17-19(25)20-9-12-22(17)14-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,20,25)(H,21,24)/t17-/m0/s1
InChIKeyVDUDEBGFRGHCIL-KRWDZBQOSA-N
MW408.52 g/mol
LogP-0.08
Rot. Bonds6

About 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide

2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 95149181) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID95149181
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-28(26,27)23-10-7-16(8-11-23)21-18(24)13-17-19(25)20-9-12-22(17)14-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,20,25)(H,21,24)/t17-/m0/s1
InChIKeyVDUDEBGFRGHCIL-KRWDZBQOSA-N
XLogP-0.08
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide 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

ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 26319974
N-cyclooctyl-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819460
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
N-cyclopropyl-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95708991
N-cyclopropyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56884569
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
ethyl 4-[[2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45207560
N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24792111
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 56885861
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclobutylacetamide
CID 42594440

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 95149181) is 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1.
What is the InChIKey of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is VDUDEBGFRGHCIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-28(26,27)23-10-7-16(8-11-23)21-18(24)13-17-19(25)20-9-12-22(17)14-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,20,25)(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 408.52 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 95149181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).