N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C29H26FN3O3 — CID 46454616

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 46454616) has the molecular formula C29H26FN3O3 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
• PubChem CID: 46454616
• Molecular Formula: C29H26FN3O3
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.20
• IUPAC Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
• SMILES: O=C(NCc1cccnc1Oc1cccc(F)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1
• InChI: InChI=1S/C29H26FN3O3/c30-23-9-4-10-24(18-23)36-28-22(8-5-15-31-28)19-32-27(34)21-13-16-33(17-14-21)29(35)26-12-3-7-20-6-1-2-11-25(20)26/h1-12,15,18,21H,13-14,16-17,19H2,(H,32,34)
• InChIKey: NIMZFXKAIGOOGB-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 46454616) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1.

What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?

The InChIKey is NIMZFXKAIGOOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O3/c30-23-9-4-10-24(18-23)36-28-22(8-5-15-31-28)19-32-27(34)21-13-16-33(17-14-21)29(35)26-12-3-7-20-6-1-2-11-25(20)26/h1-12,15,18,21H,13-14,16-17,19H2,(H,32,34).

What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46454616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).