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

C26H32Cl2N2O2 — CID 100667622

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

1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 100667622) has the molecular formula C26H32Cl2N2O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
• PubChem CID: 100667622
• Molecular Formula: C26H32Cl2N2O2
• Molecular Weight: 475.46 g/mol
• Exact Mass: 474.18
• IUPAC Name: 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
• SMILES: CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)cc2)CC1
• InChI: InChI=1S/C26H32Cl2N2O2/c1-19-10-14-30(15-11-19)16-17-32-22-7-5-21(6-8-22)29-25(31)26(12-2-3-13-26)23-9-4-20(27)18-24(23)28/h4-9,18-19H,2-3,10-17H2,1H3,(H,29,31)
• InChIKey: DMUGSBNSGJBJFU-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.46
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (CID 100667622) is 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

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

The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)cc2)CC1.

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

The InChIKey is DMUGSBNSGJBJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N2O2/c1-19-10-14-30(15-11-19)16-17-32-22-7-5-21(6-8-22)29-25(31)26(12-2-3-13-26)23-9-4-20(27)18-24(23)28/h4-9,18-19H,2-3,10-17H2,1H3,(H,29,31).

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

1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100667622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).