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

C18H21F3N2O3 — CID 24817312

IUPAC5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-5-3-4-13(10-15)11-22-12-14(6-7-16(22)24)17(25)23-8-1-2-9-26-23/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyUDLHKHHBEWCZNO-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.00
Rot. Bonds3

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

5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24817312) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24817312
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-5-3-4-13(10-15)11-22-12-14(6-7-16(22)24)17(25)23-8-1-2-9-26-23/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyUDLHKHHBEWCZNO-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
5-(1,2-Oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 24793450
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
Ethyl 1-({6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24817098
5-(1-Azepanylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24818859
6-oxo-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24819450
5-(1,2-Oxazinan-2-ylcarbonyl)-1-(2-phenylethyl)-2-piperidinone
CID 24819472
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
N-(oxan-4-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24794041
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

Frequently Asked Questions

What is the IUPAC name of 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24817312) is 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is O=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is UDLHKHHBEWCZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)15-5-3-4-13(10-15)11-22-12-14(6-7-16(22)24)17(25)23-8-1-2-9-26-23/h3-5,10,14H,1-2,6-9,11-12H2.
What are the key properties of 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 370.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxazinane-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).