(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C24H26FN5O2 — CID 95101144

About (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 95101144) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 95101144
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccc1F)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1
• InChI: InChI=1S/C24H26FN5O2/c25-20-11-2-1-6-17(20)14-27-23(31)18-9-5-13-30(15-18)22-19(10-4-12-26-22)21-28-24(32-29-21)16-7-3-8-16/h1-2,4,6,10-12,16,18H,3,5,7-9,13-15H2,(H,27,31)/t18-/m0/s1
• InChIKey: CFLRAANHAXZGGW-SFHVURJKSA-N
• XLogP: 4.07
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 95101144) is (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1F)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1.

What is the InChIKey of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?

The InChIKey is CFLRAANHAXZGGW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-20-11-2-1-6-17(20)14-27-23(31)18-9-5-13-30(15-18)22-19(10-4-12-26-22)21-28-24(32-29-21)16-7-3-8-16/h1-2,4,6,10-12,16,18H,3,5,7-9,13-15H2,(H,27,31)/t18-/m0/s1.

What are the key properties of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?

(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95101144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).