2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C28H36N4O4S — CID 54587552

IUPAC2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26-/m1/s1
InChIKeyOLFLIQAEINRCNY-CLJLJLNGSA-N
MW524.69 g/mol
LogP2.75
Rot. Bonds7

About 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 54587552) has the molecular formula C28H36N4O4S and a molecular weight of 524.69 g/mol. Its IUPAC name is 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID54587552
Molecular FormulaC28H36N4O4S
Molecular Weight524.69 g/mol
Exact Mass524.25
IUPAC Name2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26-/m1/s1
InChIKeyOLFLIQAEINRCNY-CLJLJLNGSA-N
XLogP2.75
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.69
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 54587552) is 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is OLFLIQAEINRCNY-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26-/m1/s1.
What are the key properties of 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 524.69 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 54587552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).