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

C28H36N4O4S — CID 69256353

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

2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 69256353) has the molecular formula C28H36N4O4S and a molecular weight of 524.69 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 69256353
• Molecular Formula: C28H36N4O4S
• Molecular Weight: 524.69 g/mol
• Exact Mass: 524.25
• IUPAC Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C4CCCCN4)ccc32)cc1
• InChI: InChI=1S/C28H36N4O4S/c1-19-8-11-22(12-9-19)37(35,36)32-16-15-30-28(34)26(32)18-27(33)31-25-7-4-5-20-17-21(10-13-23(20)25)24-6-2-3-14-29-24/h8-13,17,24-26,29H,2-7,14-16,18H2,1H3,(H,30,34)(H,31,33)/t24?,25-,26-/m1/s1
• InChIKey: IHZZTMVXDHCQBY-KPRFIHOGSA-N
• XLogP: 2.88
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.69
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 69256353) is 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

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

The canonical SMILES for 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C4CCCCN4)ccc32)cc1.

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

The InChIKey is IHZZTMVXDHCQBY-KPRFIHOGSA-N. The full InChI is InChI=1S/C28H36N4O4S/c1-19-8-11-22(12-9-19)37(35,36)32-16-15-30-28(34)26(32)18-27(33)31-25-7-4-5-20-17-21(10-13-23(20)25)24-6-2-3-14-29-24/h8-13,17,24-26,29H,2-7,14-16,18H2,1H3,(H,30,34)(H,31,33)/t24?,25-,26-/m1/s1.

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

2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 524.69 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-piperidin-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 69256353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).