N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide

C26H30F3N3O2 — CID 70692894

IUPACN,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H30F3N3O2/c1-30(2)25(34)23-17-19-7-3-6-10-22(19)32(23)24(33)13-16-31-14-11-18(12-15-31)20-8-4-5-9-21(20)26(27,28)29/h3-10,18,23H,11-17H2,1-2H3
InChIKeyIAJVLEUGAMKKGM-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.32
Rot. Bonds5

About N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide

N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 70692894) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID70692894
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC NameN,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H30F3N3O2/c1-30(2)25(34)23-17-19-7-3-6-10-22(19)32(23)24(33)13-16-31-14-11-18(12-15-31)20-8-4-5-9-21(20)26(27,28)29/h3-10,18,23H,11-17H2,1-2H3
InChIKeyIAJVLEUGAMKKGM-UHFFFAOYSA-N
XLogP4.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

ML SA1
CID 2880983
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CID 11305056
2-methyl-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 11396006
example 8 [WO1999033801A1]
CID 57180216
(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
CID 70690760
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CID 118731354
2-(4-Benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4839240
(10aS)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7714690
2-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 16310352
2-[3-(4-o-Tolyl-piperazin-1-yl)-propyl]-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 10832975
1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 3655995
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide (CID 70692894) is N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide is CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is IAJVLEUGAMKKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c1-30(2)25(34)23-17-19-7-3-6-10-22(19)32(23)24(33)13-16-31-14-11-18(12-15-31)20-8-4-5-9-21(20)26(27,28)29/h3-10,18,23H,11-17H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70692894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).