N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol

C26H36FN3O3 — CID 143229829

About N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol

N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol (PubChem CID 143229829) has the molecular formula C26H36FN3O3 and a molecular weight of 457.59 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol
• PubChem CID: 143229829
• Molecular Formula: C26H36FN3O3
• Molecular Weight: 457.59 g/mol
• Exact Mass: 457.27
• IUPAC Name: N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol
• SMILES: CO.O=CN(CCC1CCCN(c2ccc(Oc3ccncc3)c(F)c2)C1)C1CCCCC1
• InChI: InChI=1S/C25H32FN3O2.CH4O/c26-24-17-22(8-9-25(24)31-23-10-13-27-14-11-23)28-15-4-5-20(18-28)12-16-29(19-30)21-6-2-1-3-7-21;1-2/h8-11,13-14,17,19-21H,1-7,12,15-16,18H2;2H,1H3
• InChIKey: QLISEDILSMSPAY-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 65.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.59
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol?

The IUPAC name of N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol (CID 143229829) is N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol.

What is the SMILES notation for N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol?

The canonical SMILES for N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol is CO.O=CN(CCC1CCCN(c2ccc(Oc3ccncc3)c(F)c2)C1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol?

The InChIKey is QLISEDILSMSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2.CH4O/c26-24-17-22(8-9-25(24)31-23-10-13-27-14-11-23)28-15-4-5-20(18-28)12-16-29(19-30)21-6-2-1-3-7-21;1-2/h8-11,13-14,17,19-21H,1-7,12,15-16,18H2;2H,1H3.

What are the key properties of N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol?

N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol has a molecular weight of 457.59 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol is sourced from PubChem (CID 143229829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).