2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide

C20H17F3N4O4 — CID 164752439

IUPAC2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCC1CCC(c2cc(F)c(F)c(F)c2)N(C(=O)C(=O)Nc2cnc3o[nH]c(=O)c3c2)C1
InChIInChI=1S/C20H17F3N4O4/c1-9-2-3-15(10-4-13(21)16(23)14(22)5-10)27(8-9)20(30)18(29)25-11-6-12-17(28)26-31-19(12)24-7-11/h4-7,9,15H,2-3,8H2,1H3,(H,25,29)(H,26,28)
InChIKeyIJAXATMCBWGLGC-UHFFFAOYSA-N
MW434.37 g/mol
LogP2.87
Rot. Bonds2

About 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide

2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 164752439) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID164752439
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Name2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCC1CCC(c2cc(F)c(F)c(F)c2)N(C(=O)C(=O)Nc2cnc3o[nH]c(=O)c3c2)C1
InChIInChI=1S/C20H17F3N4O4/c1-9-2-3-15(10-4-13(21)16(23)14(22)5-10)27(8-9)20(30)18(29)25-11-6-12-17(28)26-31-19(12)24-7-11/h4-7,9,15H,2-3,8H2,1H3,(H,25,29)(H,26,28)
InChIKeyIJAXATMCBWGLGC-UHFFFAOYSA-N
XLogP2.87
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
CID 169112763
2-[(2R,5S)-5-methyl-2-[2-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
CID 169112752
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-chloro-4,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164751767
N-(6-amino-5-propan-2-yl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164751296
5-[[2-[(2R,5S)-2-(3-chloro-4,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751156
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164753133
tert-butyl N-[5-[[2-[(2R,5S)-2-(3,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164753119
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751196
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
2-methoxy-5-[[2-[(5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034018

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide (CID 164752439) is 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide is CC1CCC(c2cc(F)c(F)c(F)c2)N(C(=O)C(=O)Nc2cnc3o[nH]c(=O)c3c2)C1.
What is the InChIKey of 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is IJAXATMCBWGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c1-9-2-3-15(10-4-13(21)16(23)14(22)5-10)27(8-9)20(30)18(29)25-11-6-12-17(28)26-31-19(12)24-7-11/h4-7,9,15H,2-3,8H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?
2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 434.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3,4,5-trifluorophenyl)piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 164752439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).