2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C32H43N3O2 — CID 42842524

About 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 42842524) has the molecular formula C32H43N3O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• PubChem CID: 42842524
• Molecular Formula: C32H43N3O2
• Molecular Weight: 501.72 g/mol
• Exact Mass: 501.34
• IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• SMILES: CC(C)(C)c1ccc(C(=O)N2CCN(C(C(=O)NC3CCCc4ccccc43)C3CCCC3)CC2)cc1
• InChI: InChI=1S/C32H43N3O2/c1-32(2,3)26-17-15-25(16-18-26)31(37)35-21-19-34(20-22-35)29(24-10-4-5-11-24)30(36)33-28-14-8-12-23-9-6-7-13-27(23)28/h6-7,9,13,15-18,24,28-29H,4-5,8,10-12,14,19-22H2,1-3H3,(H,33,36)
• InChIKey: ZBEWCVGMNBEKQU-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.72
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The IUPAC name of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 42842524) is 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

What is the SMILES notation for 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The canonical SMILES for 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(C)(C)c1ccc(C(=O)N2CCN(C(C(=O)NC3CCCc4ccccc43)C3CCCC3)CC2)cc1.

What is the InChIKey of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The InChIKey is ZBEWCVGMNBEKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O2/c1-32(2,3)26-17-15-25(16-18-26)31(37)35-21-19-34(20-22-35)29(24-10-4-5-11-24)30(36)33-28-14-8-12-23-9-6-7-13-27(23)28/h6-7,9,13,15-18,24,28-29H,4-5,8,10-12,14,19-22H2,1-3H3,(H,33,36).

What are the key properties of 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 501.72 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 42842524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).