3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C17H19F3N2O — CID 41037215

IUPAC3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)13-4-3-9-22(11-13)16(23)8-7-12-10-21-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,21H,3-4,7-9,11H2/t13-/m0/s1
InChIKeyGJILGZSVKMWGQI-ZDUSSCGKSA-N
MW324.35 g/mol
LogP3.90
Rot. Bonds3

About 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 41037215) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID41037215
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)13-4-3-9-22(11-13)16(23)8-7-12-10-21-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,21H,3-4,7-9,11H2/t13-/m0/s1
InChIKeyGJILGZSVKMWGQI-ZDUSSCGKSA-N
XLogP3.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280536
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41111390
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 41037215) is 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GJILGZSVKMWGQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19F3N2O/c18-17(19,20)13-4-3-9-22(11-13)16(23)8-7-12-10-21-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,21H,3-4,7-9,11H2/t13-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 324.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 41037215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).