2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C31H40N4O4S — CID 69256752

About 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 69256752) has the molecular formula C31H40N4O4S and a molecular weight of 564.75 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 69256752
• Molecular Formula: C31H40N4O4S
• Molecular Weight: 564.75 g/mol
• Exact Mass: 564.28
• IUPAC Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: C=C(CN1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C31H40N4O4S/c1-22-9-12-27(13-10-22)40(38,39)35-21-31(37)32-19-26(35)18-30(36)33-29-8-6-7-25-17-24(11-14-28(25)29)23(2)20-34-15-4-3-5-16-34/h9-14,17,26,29H,2-8,15-16,18-21H2,1H3,(H,32,37)(H,33,36)/t26-,29-/m1/s1
• InChIKey: OYXUAAWSNCGKJC-GGXMVOPNSA-N
• XLogP: 3.57
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.75
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 69256752) is 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is C=C(CN1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is OYXUAAWSNCGKJC-GGXMVOPNSA-N. The full InChI is InChI=1S/C31H40N4O4S/c1-22-9-12-27(13-10-22)40(38,39)35-21-31(37)32-19-26(35)18-30(36)33-29-8-6-7-25-17-24(11-14-28(25)29)23(2)20-34-15-4-3-5-16-34/h9-14,17,26,29H,2-8,15-16,18-21H2,1H3,(H,32,37)(H,33,36)/t26-,29-/m1/s1.

What are the key properties of 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 564.75 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-(4-methylphenyl)sulfonyl-5-oxopiperazin-2-yl]-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 69256752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).