4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one

C19H28N4O4S — CID 50968053

IUPAC4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)CC2C(=O)NCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-2-28(26,27)23-12-10-21(11-13-23)18(24)14-17-19(25)20-8-9-22(17)15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,20,25)
InChIKeyIGYUPWFAEAASQC-UHFFFAOYSA-N
MW408.52 g/mol
LogP-0.13
Rot. Bonds6

About 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one

4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 50968053) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID50968053
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)CC2C(=O)NCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-2-28(26,27)23-12-10-21(11-13-23)18(24)14-17-19(25)20-8-9-22(17)15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,20,25)
InChIKeyIGYUPWFAEAASQC-UHFFFAOYSA-N
XLogP-0.13
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
4-benzyl-3-[2-(3-ethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 75590147
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45220215
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 95149181
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 45191923
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45202492
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45167725

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (CID 50968053) is 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is CCS(=O)(=O)N1CCN(C(=O)CC2C(=O)NCCN2Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is IGYUPWFAEAASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-2-28(26,27)23-12-10-21(11-13-23)18(24)14-17-19(25)20-8-9-22(17)15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,20,25).
What are the key properties of 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 408.52 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 50968053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).