5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C17H19F3N2O3 — CID 24793450

IUPAC5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCO2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)14-4-1-3-12(9-14)10-21-11-13(5-6-15(21)23)16(24)22-7-2-8-25-22/h1,3-4,9,13H,2,5-8,10-11H2
InChIKeyWUATVHFPPRCBGH-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.61
Rot. Bonds3

About 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24793450) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24793450
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCO2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)14-4-1-3-12(9-14)10-21-11-13(5-6-15(21)23)16(24)22-7-2-8-25-22/h1,3-4,9,13H,2,5-8,10-11H2
InChIKeyWUATVHFPPRCBGH-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793871
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332
5-(1-Azepanylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24818859
1-(3-Fluorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24817232
5-[(4-Ethyl-1-piperazinyl)carbonyl]-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24790489
5-(1-Pyrrolidinylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24793081
Ethyl 4-({6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinyl}carbonyl)-1-piperazinecarboxylate
CID 24793146
N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817063
5-[(4-Methyl-1-piperazinyl)carbonyl]-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24817236
5-(1,2-Oxazinan-2-ylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24817312
N-[1-(2-fluorobenzyl)-3-piperidinyl]-3-(2-isoxazolidinyl)-N-methylpropanamide
CID 24817570
N-(3-cyclopentylpropyl)-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817809

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24793450) is 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is O=C1CCC(C(=O)N2CCCO2)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is WUATVHFPPRCBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)14-4-1-3-12(9-14)10-21-11-13(5-6-15(21)23)16(24)22-7-2-8-25-22/h1,3-4,9,13H,2,5-8,10-11H2.
What are the key properties of 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 356.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24793450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).