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

C23H24F3N3O2 — CID 52533407

IUPAC1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc21
InChIInChI=1S/C23H24F3N3O2/c1-15(30)29-12-9-16-13-17(5-7-20(16)29)22(31)27-19-14-18(23(24,25)26)6-8-21(19)28-10-3-2-4-11-28/h5-8,13-14H,2-4,9-12H2,1H3,(H,27,31)
InChIKeyRITWJMZTJTUKLO-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.86
Rot. Bonds3

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

1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 52533407) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID52533407
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc21
InChIInChI=1S/C23H24F3N3O2/c1-15(30)29-12-9-16-13-17(5-7-20(16)29)22(31)27-19-14-18(23(24,25)26)6-8-21(19)28-10-3-2-4-11-28/h5-8,13-14H,2-4,9-12H2,1H3,(H,27,31)
InChIKeyRITWJMZTJTUKLO-UHFFFAOYSA-N
XLogP4.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3795149
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 46483332
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
3,4-difluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 37441848
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
4-methoxy-3-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421624
3-bromo-4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067330

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide (CID 52533407) is 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is RITWJMZTJTUKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-15(30)29-12-9-16-13-17(5-7-20(16)29)22(31)27-19-14-18(23(24,25)26)6-8-21(19)28-10-3-2-4-11-28/h5-8,13-14H,2-4,9-12H2,1H3,(H,27,31).
What are the key properties of 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 52533407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).