N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C23H24F3N3O2 — CID 11568188

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCc2cccc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)c21
InChIInChI=1S/C23H24F3N3O2/c1-15(30)29-13-10-16-4-2-7-20(21(16)29)27-22(31)17-8-11-28(12-9-17)19-6-3-5-18(14-19)23(24,25)26/h2-7,14,17H,8-13H2,1H3,(H,27,31)
InChIKeyAXFOAOQEXCRCKM-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.47
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 11568188) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID11568188
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCc2cccc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)c21
InChIInChI=1S/C23H24F3N3O2/c1-15(30)29-13-10-16-4-2-7-20(21(16)29)27-22(31)17-8-11-28(12-9-17)19-6-3-5-18(14-19)23(24,25)26/h2-7,14,17H,8-13H2,1H3,(H,27,31)
InChIKeyAXFOAOQEXCRCKM-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 11568188) is N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCc2cccc(NC(=O)C3CCN(c4cccc(C(F)(F)F)c4)CC3)c21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is AXFOAOQEXCRCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-15(30)29-13-10-16-4-2-7-20(21(16)29)27-22(31)17-8-11-28(12-9-17)19-6-3-5-18(14-19)23(24,25)26/h2-7,14,17H,8-13H2,1H3,(H,27,31).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-7-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11568188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).