1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

C24H30ClFN2O2 — CID 100689756

About 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 100689756) has the molecular formula C24H30ClFN2O2 and a molecular weight of 432.97 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
• PubChem CID: 100689756
• Molecular Formula: C24H30ClFN2O2
• Molecular Weight: 432.97 g/mol
• Exact Mass: 432.20
• IUPAC Name: 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
• SMILES: CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(C)c1
• InChI: InChI=1S/C24H30ClFN2O2/c1-4-22(18-6-8-23(30-3)16(2)13-18)27-24(29)17-9-11-28(12-10-17)15-19-5-7-20(25)14-21(19)26/h5-8,13-14,17,22H,4,9-12,15H2,1-3H3,(H,27,29)/t22-/m1/s1
• InChIKey: DPURRVYSEXZCPG-JOCHJYFZSA-N
• XLogP: 5.28
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.97
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (CID 100689756) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(C)c1.

What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

The InChIKey is DPURRVYSEXZCPG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30ClFN2O2/c1-4-22(18-6-8-23(30-3)16(2)13-18)27-24(29)17-9-11-28(12-10-17)15-19-5-7-20(25)14-21(19)26/h5-8,13-14,17,22H,4,9-12,15H2,1-3H3,(H,27,29)/t22-/m1/s1.

What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 432.97 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 100689756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).