(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C28H34F3N3O3 — CID 93210467

About (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 93210467) has the molecular formula C28H34F3N3O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
• PubChem CID: 93210467
• Molecular Formula: C28H34F3N3O3
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.26
• IUPAC Name: (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
• SMILES: COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C28H34F3N3O3/c1-37-24-12-6-20(7-13-24)14-15-32-26(35)25(21-4-2-3-5-21)33-16-18-34(19-17-33)27(36)22-8-10-23(11-9-22)28(29,30)31/h6-13,21,25H,2-5,14-19H2,1H3,(H,32,35)/t25-/m1/s1
• InChIKey: KEHBKTVWCBSDQY-RUZDIDTESA-N
• XLogP: 4.39
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?

The IUPAC name of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 93210467) is (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

What is the SMILES notation for (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?

The canonical SMILES for (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?

The InChIKey is KEHBKTVWCBSDQY-RUZDIDTESA-N. The full InChI is InChI=1S/C28H34F3N3O3/c1-37-24-12-6-20(7-13-24)14-15-32-26(35)25(21-4-2-3-5-21)33-16-18-34(19-17-33)27(36)22-8-10-23(11-9-22)28(29,30)31/h6-13,21,25H,2-5,14-19H2,1H3,(H,32,35)/t25-/m1/s1.

What are the key properties of (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?

(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 517.59 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 93210467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).