1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

C25H28Cl2N4O — CID 43917470

About 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917470) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
• PubChem CID: 43917470
• Molecular Formula: C25H28Cl2N4O
• Molecular Weight: 471.43 g/mol
• Exact Mass: 470.16
• IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
• SMILES: Cc1nccn1Cc1cccc(CNC(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)c1
• InChI: InChI=1S/C25H28Cl2N4O/c1-18-28-10-12-31(18)15-20-6-2-5-19(13-20)14-29-25(32)21-7-4-11-30(16-21)17-22-23(26)8-3-9-24(22)27/h2-3,5-6,8-10,12-13,21H,4,7,11,14-17H2,1H3,(H,29,32)
• InChIKey: MJOPWAOZCQOIAA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.43
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 43917470) is 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is Cc1nccn1Cc1cccc(CNC(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)c1.

What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

The InChIKey is MJOPWAOZCQOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/c1-18-28-10-12-31(18)15-20-6-2-5-19(13-20)14-29-25(32)21-7-4-11-30(16-21)17-22-23(26)8-3-9-24(22)27/h2-3,5-6,8-10,12-13,21H,4,7,11,14-17H2,1H3,(H,29,32).

What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?

1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 471.43 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).