6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide

C20H18F3N3O4 — CID 166073723

IUPAC6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(Oc3ccc(C(F)(F)F)cn3)cc3c2OCC3)CN1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)13-2-4-17(25-10-13)30-14-7-11-5-6-29-18(11)15(8-14)26-19(28)12-1-3-16(27)24-9-12/h2,4,7-8,10,12H,1,3,5-6,9H2,(H,24,27)(H,26,28)
InChIKeyBORXMMFLCFYPAI-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.29
Rot. Bonds4

About 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide

6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide (PubChem CID 166073723) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide
PubChem CID166073723
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(Oc3ccc(C(F)(F)F)cn3)cc3c2OCC3)CN1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)13-2-4-17(25-10-13)30-14-7-11-5-6-29-18(11)15(8-14)26-19(28)12-1-3-16(27)24-9-12/h2,4,7-8,10,12H,1,3,5-6,9H2,(H,24,27)(H,26,28)
InChIKeyBORXMMFLCFYPAI-UHFFFAOYSA-N
XLogP3.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074063
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide
CID 100656643
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074010
N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074005
N-[2-cyano-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 115911464
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-thieno[2,3-b]pyridin-2-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexane-1-carboxamide
CID 89463074
N-pyridazin-3-yl-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 53311845
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide (CID 166073723) is 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(Oc3ccc(C(F)(F)F)cn3)cc3c2OCC3)CN1.
What is the InChIKey of 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide?
The InChIKey is BORXMMFLCFYPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)13-2-4-17(25-10-13)30-14-7-11-5-6-29-18(11)15(8-14)26-19(28)12-1-3-16(27)24-9-12/h2,4,7-8,10,12H,1,3,5-6,9H2,(H,24,27)(H,26,28).
What are the key properties of 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide?
6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide is sourced from PubChem (CID 166073723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).