1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide

C18H20FN3O3 — CID 24793307

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccon1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C18H20FN3O3/c19-15-3-1-2-13(10-15)6-8-22-12-14(4-5-17(22)23)18(24)20-11-16-7-9-25-21-16/h1-3,7,9-10,14H,4-6,8,11-12H2,(H,20,24)
InChIKeyKTJGMSIILGEYFN-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24793307) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24793307
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccon1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C18H20FN3O3/c19-15-3-1-2-13(10-15)6-8-22-12-14(4-5-17(22)23)18(24)20-11-16-7-9-25-21-16/h1-3,7,9-10,14H,4-6,8,11-12H2,(H,20,24)
InChIKeyKTJGMSIILGEYFN-UHFFFAOYSA-N
XLogP1.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 24793307) is 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1ccon1)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KTJGMSIILGEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-3-1-2-13(10-15)6-8-22-12-14(4-5-17(22)23)18(24)20-11-16-7-9-25-21-16/h1-3,7,9-10,14H,4-6,8,11-12H2,(H,20,24).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).