1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide

C25H30FN3O3 — CID 86940628

About 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 86940628) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide
• PubChem CID: 86940628
• Molecular Formula: C25H30FN3O3
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.23
• IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide
• SMILES: CC(C)(C)C(COc1ccccc1F)NC(=O)C1CCN(c2nc3ccccc3o2)CC1
• InChI: InChI=1S/C25H30FN3O3/c1-25(2,3)22(16-31-20-10-6-4-8-18(20)26)28-23(30)17-12-14-29(15-13-17)24-27-19-9-5-7-11-21(19)32-24/h4-11,17,22H,12-16H2,1-3H3,(H,28,30)
• InChIKey: HUDZSWLEPPCGQQ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide (CID 86940628) is 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide is CC(C)(C)C(COc1ccccc1F)NC(=O)C1CCN(c2nc3ccccc3o2)CC1.

What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide?

The InChIKey is HUDZSWLEPPCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-25(2,3)22(16-31-20-10-6-4-8-18(20)26)28-23(30)17-12-14-29(15-13-17)24-27-19-9-5-7-11-21(19)32-24/h4-11,17,22H,12-16H2,1-3H3,(H,28,30).

What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide?

1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzoxazol-2-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86940628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).