6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide

C17H18F4N2O — CID 158336344

IUPAC6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide
SMILESCC1=C(C(F)(F)F)Cc2c(C(N)=O)cc(F)c(C3CCCNC3)c21
InChIInChI=1S/C17H18F4N2O/c1-8-12(17(19,20)21)5-10-11(16(22)24)6-13(18)15(14(8)10)9-3-2-4-23-7-9/h6,9,23H,2-5,7H2,1H3,(H2,22,24)
InChIKeyGQPYSEDVNMKRFQ-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.28
Rot. Bonds2

About 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide

6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide (PubChem CID 158336344) has the molecular formula C17H18F4N2O and a molecular weight of 342.34 g/mol. Its IUPAC name is 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide
PubChem CID158336344
Molecular FormulaC17H18F4N2O
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide
SMILESCC1=C(C(F)(F)F)Cc2c(C(N)=O)cc(F)c(C3CCCNC3)c21
InChIInChI=1S/C17H18F4N2O/c1-8-12(17(19,20)21)5-10-11(16(22)24)6-13(18)15(14(8)10)9-3-2-4-23-7-9/h6,9,23H,2-5,7H2,1H3,(H2,22,24)
InChIKeyGQPYSEDVNMKRFQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
CID 152987796
3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
CID 117385756
2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene
CID 177155554
2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
CID 117372322
1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide
CID 18428242
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
methyl 3-fluoro-2-hydroxy-5-piperidin-3-ylbenzoate
CID 117385557
3-chloro-5,6-difluoro-2-methyl-4-piperidin-3-yl-1-prop-2-enoylindole-7-carboxamide
CID 175881292
3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide (CID 158336344) is 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide is CC1=C(C(F)(F)F)Cc2c(C(N)=O)cc(F)c(C3CCCNC3)c21.
What is the InChIKey of 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The InChIKey is GQPYSEDVNMKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2O/c1-8-12(17(19,20)21)5-10-11(16(22)24)6-13(18)15(14(8)10)9-3-2-4-23-7-9/h6,9,23H,2-5,7H2,1H3,(H2,22,24).
What are the key properties of 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide?
6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide is sourced from PubChem (CID 158336344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).