N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H19F3N4O3 — CID 58653178

IUPACN-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C1COc2ncc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)13-2-1-3-15(8-13)27-6-4-12(5-7-27)18(29)25-14-9-16-19(24-10-14)30-11-17(28)26-16/h1-3,8-10,12H,4-7,11H2,(H,25,29)(H,26,28)
InChIKeyPUHZGENCFXQQFK-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.29
Rot. Bonds3

About N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 58653178) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID58653178
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C1COc2ncc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)13-2-1-3-15(8-13)27-6-4-12(5-7-27)18(29)25-14-9-16-19(24-10-14)30-11-17(28)26-16/h1-3,8-10,12H,4-7,11H2,(H,25,29)(H,26,28)
InChIKeyPUHZGENCFXQQFK-UHFFFAOYSA-N
XLogP3.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11582496
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N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11654921
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 78893189
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
1-[4-[1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11703667
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 58985273
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785591
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 58653178) is N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C1COc2ncc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1.
What is the InChIKey of N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PUHZGENCFXQQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c21-20(22,23)13-2-1-3-15(8-13)27-6-4-12(5-7-27)18(29)25-14-9-16-19(24-10-14)30-11-17(28)26-16/h1-3,8-10,12H,4-7,11H2,(H,25,29)(H,26,28).
What are the key properties of N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 58653178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).