1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

C25H28Cl2N4O — CID 43917722

About 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 43917722) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
• PubChem CID: 43917722
• Molecular Formula: C25H28Cl2N4O
• Molecular Weight: 471.43 g/mol
• Exact Mass: 470.16
• IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
• SMILES: Cc1nccn1Cc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1
• InChI: InChI=1S/C25H28Cl2N4O/c1-18-28-9-12-31(18)17-20-4-2-3-19(13-20)15-29-25(32)22-7-10-30(11-8-22)16-21-5-6-23(26)24(27)14-21/h2-6,9,12-14,22H,7-8,10-11,15-17H2,1H3,(H,29,32)
• InChIKey: GLBHZERDRFCZAQ-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-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 43917722) is 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is Cc1nccn1Cc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1.

What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?

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

What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?

1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-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-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43917722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).