N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide

C18H20FN3O3 — CID 75418635

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C18H20FN3O3/c19-15-4-2-1-3-13(15)5-9-20-17(23)14-6-10-22(11-7-14)18(24)16-8-12-25-21-16/h1-4,8,12,14H,5-7,9-11H2,(H,20,23)
InChIKeyNWFYCEBYNPTUJZ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 75418635) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID75418635
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C18H20FN3O3/c19-15-4-2-1-3-13(15)5-9-20-17(23)14-6-10-22(11-7-14)18(24)16-8-12-25-21-16/h1-4,8,12,14H,5-7,9-11H2,(H,20,23)
InChIKeyNWFYCEBYNPTUJZ-UHFFFAOYSA-N
XLogP2.02
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-(3-aminopyrazine-2-carbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47057526
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide (CID 75418635) is N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccon2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is NWFYCEBYNPTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-4-2-1-3-13(15)5-9-20-17(23)14-6-10-22(11-7-14)18(24)16-8-12-25-21-16/h1-4,8,12,14H,5-7,9-11H2,(H,20,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 75418635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).