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

C21H21FN4O2 — CID 649114

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C21H21FN4O2/c1-14-5-2-3-7-18(14)23-21(27)26-12-4-6-16(13-26)20-24-19(25-28-20)15-8-10-17(22)11-9-15/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,23,27)
InChIKeyWTJPCLNKMOKSFB-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.60
Rot. Bonds3

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 649114) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID649114
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C21H21FN4O2/c1-14-5-2-3-7-18(14)23-21(27)26-12-4-6-16(13-26)20-24-19(25-28-20)15-8-10-17(22)11-9-15/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,23,27)
InChIKeyWTJPCLNKMOKSFB-UHFFFAOYSA-N
XLogP4.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 649114) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is WTJPCLNKMOKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-5-2-3-7-18(14)23-21(27)26-12-4-6-16(13-26)20-24-19(25-28-20)15-8-10-17(22)11-9-15/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H,23,27).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 649114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).