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

C22H24FN5O2 — CID 95101053

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

(3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 95101053) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is (3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 95101053
• Molecular Formula: C22H24FN5O2
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.19
• IUPAC Name: (3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
• SMILES: CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3ccccc3F)C2)no1
• InChI: InChI=1S/C22H24FN5O2/c1-2-19-26-20(27-30-19)17-9-5-11-24-21(17)28-12-6-8-16(14-28)22(29)25-13-15-7-3-4-10-18(15)23/h3-5,7,9-11,16H,2,6,8,12-14H2,1H3,(H,25,29)/t16-/m0/s1
• InChIKey: KLUQIXMVMGNOQA-INIZCTEOSA-N
• XLogP: 3.37
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 95101053) is (3S)-1-[3-(5-ethyl-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-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)NCc3ccccc3F)C2)no1.

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

The InChIKey is KLUQIXMVMGNOQA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-2-19-26-20(27-30-19)17-9-5-11-24-21(17)28-12-6-8-16(14-28)22(29)25-13-15-7-3-4-10-18(15)23/h3-5,7,9-11,16H,2,6,8,12-14H2,1H3,(H,25,29)/t16-/m0/s1.

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

(3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.37, 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-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95101053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).