2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide

C27H32ClFN2O3 — CID 110080213

About 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide

2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide (PubChem CID 110080213) has the molecular formula C27H32ClFN2O3 and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide
• PubChem CID: 110080213
• Molecular Formula: C27H32ClFN2O3
• Molecular Weight: 487.02 g/mol
• Exact Mass: 486.21
• IUPAC Name: 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide
• SMILES: Cc1cc(OCC2(CC(N)=O)CCCN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)ccc1Cl
• InChI: InChI=1S/C27H32ClFN2O3/c1-19-15-22(9-10-23(19)28)34-18-26(16-24(30)32)11-4-14-31(17-26)25(33)27(12-2-3-13-27)20-5-7-21(29)8-6-20/h5-10,15H,2-4,11-14,16-18H2,1H3,(H2,30,32)
• InChIKey: AQVKPDQUQIQCKZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 72.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.02
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide?

The IUPAC name of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide (CID 110080213) is 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide is Cc1cc(OCC2(CC(N)=O)CCCN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)ccc1Cl.

What is the InChIKey of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide?

The InChIKey is AQVKPDQUQIQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClFN2O3/c1-19-15-22(9-10-23(19)28)34-18-26(16-24(30)32)11-4-14-31(17-26)25(33)27(12-2-3-13-27)20-5-7-21(29)8-6-20/h5-10,15H,2-4,11-14,16-18H2,1H3,(H2,30,32).

What are the key properties of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide?

2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110080213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).