2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

C15H18ClF3N2O — CID 120617475

IUPAC2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2N1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O.ClH/c16-15(17,18)11-5-3-7-20(9-11)14(21)13-8-10-4-1-2-6-12(10)19-13;/h1-2,4,6,11,13,19H,3,5,7-9H2;1H
InChIKeyGDZGEHXZVFLRHW-UHFFFAOYSA-N
MW334.77 g/mol
LogP3.25
Rot. Bonds1

About 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120617475) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120617475
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC Name2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1Cc2ccccc2N1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O.ClH/c16-15(17,18)11-5-3-7-20(9-11)14(21)13-8-10-4-1-2-6-12(10)19-13;/h1-2,4,6,11,13,19H,3,5,7-9H2;1H
InChIKeyGDZGEHXZVFLRHW-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 124574751
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 129323229
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 120617475) is 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(C1Cc2ccccc2N1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is GDZGEHXZVFLRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O.ClH/c16-15(17,18)11-5-3-7-20(9-11)14(21)13-8-10-4-1-2-6-12(10)19-13;/h1-2,4,6,11,13,19H,3,5,7-9H2;1H.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 334.77 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120617475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).