N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

C22H22ClFN4O3 — CID 91920685

About N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91920685) has the molecular formula C22H22ClFN4O3 and a molecular weight of 444.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
• PubChem CID: 91920685
• Molecular Formula: C22H22ClFN4O3
• Molecular Weight: 444.89 g/mol
• Exact Mass: 444.14
• IUPAC Name: N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1)N1CCCCC1c1noc(COCc2ccc(F)cc2)n1
• InChI: InChI=1S/C22H22ClFN4O3/c23-16-4-3-5-18(12-16)25-22(29)28-11-2-1-6-19(28)21-26-20(31-27-21)14-30-13-15-7-9-17(24)10-8-15/h3-5,7-10,12,19H,1-2,6,11,13-14H2,(H,25,29)
• InChIKey: SLKGCXWCHHOCIP-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.89
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91920685) is N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCCC1c1noc(COCc2ccc(F)cc2)n1.

What is the InChIKey of N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?

The InChIKey is SLKGCXWCHHOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O3/c23-16-4-3-5-18(12-16)25-22(29)28-11-2-1-6-19(28)21-26-20(31-27-21)14-30-13-15-7-9-17(24)10-8-15/h3-5,7-10,12,19H,1-2,6,11,13-14H2,(H,25,29).

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

N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 444.89 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91920685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).