1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C21H19F3N2O — CID 137456369

IUPAC1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)18-7-3-1-5-15(18)14-9-11-26(12-10-14)20(27)17-13-25-19-8-4-2-6-16(17)19/h1-8,13-14,25H,9-12H2
InChIKeyBDANEWOFSRZZFS-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.21
Rot. Bonds2

About 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 137456369) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID137456369
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)18-7-3-1-5-15(18)14-9-11-26(12-10-14)20(27)17-13-25-19-8-4-2-6-16(17)19/h1-8,13-14,25H,9-12H2
InChIKeyBDANEWOFSRZZFS-UHFFFAOYSA-N
XLogP5.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
2,3-dihydro-1H-triazol-2-ium-4-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163928926
1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126855908
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188128
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
2,2,2-trifluoro-N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 151152598

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 137456369) is 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is BDANEWOFSRZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c22-21(23,24)18-7-3-1-5-15(18)14-9-11-26(12-10-14)20(27)17-13-25-19-8-4-2-6-16(17)19/h1-8,13-14,25H,9-12H2.
What are the key properties of 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 372.39 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 137456369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).