2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

C20H31N5O4S — CID 30739658

IUPAC2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N5O4S/c21-30(28,29)18-6-4-17(5-7-18)14-22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-2-1-3-9-25/h4-7H,1-3,8-16H2,(H,22,26)(H2,21,28,29)
InChIKeyDXKVTRATQRCOCR-UHFFFAOYSA-N
MW437.57 g/mol
LogP-0.42
Rot. Bonds7

About 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 30739658) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID30739658
Molecular FormulaC20H31N5O4S
Molecular Weight437.57 g/mol
Exact Mass437.21
IUPAC Name2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N5O4S/c21-30(28,29)18-6-4-17(5-7-18)14-22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-2-1-3-9-25/h4-7H,1-3,8-16H2,(H,22,26)(H2,21,28,29)
InChIKeyDXKVTRATQRCOCR-UHFFFAOYSA-N
XLogP-0.42
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide with MolForge

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Related Compounds

N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 78899254
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 162659523
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 25333150
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 86774745
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 112521930
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 30739658) is 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is DXKVTRATQRCOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4S/c21-30(28,29)18-6-4-17(5-7-18)14-22-19(26)15-23-10-12-24(13-11-23)16-20(27)25-8-2-1-3-9-25/h4-7H,1-3,8-16H2,(H,22,26)(H2,21,28,29).
What are the key properties of 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 30739658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).