1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide

C26H33ClN2O2 — CID 100665537

About 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 100665537) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
• PubChem CID: 100665537
• Molecular Formula: C26H33ClN2O2
• Molecular Weight: 441.02 g/mol
• Exact Mass: 440.22
• IUPAC Name: 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
• SMILES: CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)CC1
• InChI: InChI=1S/C26H33ClN2O2/c1-20-12-16-29(17-13-20)18-19-31-24-10-8-23(9-11-24)28-25(30)26(14-2-3-15-26)21-4-6-22(27)7-5-21/h4-11,20H,2-3,12-19H2,1H3,(H,28,30)
• InChIKey: DXERIOIWUWVVJV-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.02
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (CID 100665537) is 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)CC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?

The InChIKey is DXERIOIWUWVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O2/c1-20-12-16-29(17-13-20)18-19-31-24-10-8-23(9-11-24)28-25(30)26(14-2-3-15-26)21-4-6-22(27)7-5-21/h4-11,20H,2-3,12-19H2,1H3,(H,28,30).

What are the key properties of 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 441.02 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100665537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).