N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C28H38N2O3 — CID 133188335

About N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 133188335) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
• PubChem CID: 133188335
• Molecular Formula: C28H38N2O3
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.29
• IUPAC Name: N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
• SMILES: COc1ccc(C2(C(=O)Nc3ccc(OCCN4CC(C)CC(C)C4)cc3)CCCC2)cc1
• InChI: InChI=1S/C28H38N2O3/c1-21-18-22(2)20-30(19-21)16-17-33-26-12-8-24(9-13-26)29-27(31)28(14-4-5-15-28)23-6-10-25(32-3)11-7-23/h6-13,21-22H,4-5,14-20H2,1-3H3,(H,29,31)
• InChIKey: IVPITHKKJCVEOV-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?

The IUPAC name of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 133188335) is N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

What is the SMILES notation for N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?

The canonical SMILES for N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCCN4CC(C)CC(C)C4)cc3)CCCC2)cc1.

What is the InChIKey of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?

The InChIKey is IVPITHKKJCVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-21-18-22(2)20-30(19-21)16-17-33-26-12-8-24(9-13-26)29-27(31)28(14-4-5-15-28)23-6-10-25(32-3)11-7-23/h6-13,21-22H,4-5,14-20H2,1-3H3,(H,29,31).

What are the key properties of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?

N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 450.62 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 133188335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).