5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

C27H27F3N4O — CID 24737434

IUPAC5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCN(Cc2ccc(C(F)(F)F)nc2)C1)N1CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H27F3N4O/c28-27(29,30)25-11-8-19(16-31-25)17-33-13-4-7-23(18-33)32-26(35)34-14-12-22-15-21(9-10-24(22)34)20-5-2-1-3-6-20/h1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,32,35)
InChIKeyIGDCXVBIGOWQHL-UHFFFAOYSA-N
MW480.53 g/mol
LogP5.50
Rot. Bonds4

About 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 24737434) has the molecular formula C27H27F3N4O and a molecular weight of 480.53 g/mol. Its IUPAC name is 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID24737434
Molecular FormulaC27H27F3N4O
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC Name5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCN(Cc2ccc(C(F)(F)F)nc2)C1)N1CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H27F3N4O/c28-27(29,30)25-11-8-19(16-31-25)17-33-13-4-7-23(18-33)32-26(35)34-14-12-22-15-21(9-10-24(22)34)20-5-2-1-3-6-20/h1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,32,35)
InChIKeyIGDCXVBIGOWQHL-UHFFFAOYSA-N
XLogP5.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24737435
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 24736898
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide
CID 24737430
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159
5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24736877
2-cyclopropyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172901039
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736819
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide (CID 24737434) is 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide is O=C(NC1CCCN(Cc2ccc(C(F)(F)F)nc2)C1)N1CCc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is IGDCXVBIGOWQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O/c28-27(29,30)25-11-8-19(16-31-25)17-33-13-4-7-23(18-33)32-26(35)34-14-12-22-15-21(9-10-24(22)34)20-5-2-1-3-6-20/h1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,32,35).
What are the key properties of 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24737434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).