N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide

C29H48FN3O2 — CID 67190467

About N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide (PubChem CID 67190467) has the molecular formula C29H48FN3O2 and a molecular weight of 489.72 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide
• PubChem CID: 67190467
• Molecular Formula: C29H48FN3O2
• Molecular Weight: 489.72 g/mol
• Exact Mass: 489.37
• IUPAC Name: N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide
• SMILES: CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(CCCCOC)c2cc(C)ccc2F)C1
• InChI: InChI=1S/C29H48FN3O2/c1-22-14-15-28(30)27(18-22)26(13-7-8-17-35-3)24-12-9-16-33(21-24)29(34)32-25(20-31-2)19-23-10-5-4-6-11-23/h14-15,18,23-26,31H,4-13,16-17,19-21H2,1-3H3,(H,32,34)
• InChIKey: YFPLCODGIJYOJG-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.72
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide?

The IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide (CID 67190467) is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide is CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(CCCCOC)c2cc(C)ccc2F)C1.

What is the InChIKey of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide?

The InChIKey is YFPLCODGIJYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48FN3O2/c1-22-14-15-28(30)27(18-22)26(13-7-8-17-35-3)24-12-9-16-33(21-24)29(34)32-25(20-31-2)19-23-10-5-4-6-11-23/h14-15,18,23-26,31H,4-13,16-17,19-21H2,1-3H3,(H,32,34).

What are the key properties of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide?

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide has a molecular weight of 489.72 g/mol, XLogP of 6.01, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide is sourced from PubChem (CID 67190467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).