1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone

C17H19F3N2O — CID 171678908

IUPAC1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(CN2CCC(C(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C17H19F3N2O/c1-12(23)22-11-13(15-4-2-3-5-16(15)22)10-21-8-6-14(7-9-21)17(18,19)20/h2-5,11,14H,6-10H2,1H3
InChIKeyLVCPGDMPNBBDMU-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.08
Rot. Bonds2

About 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone

1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone (PubChem CID 171678908) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone
PubChem CID171678908
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(CN2CCC(C(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C17H19F3N2O/c1-12(23)22-11-13(15-4-2-3-5-16(15)22)10-21-8-6-14(7-9-21)17(18,19)20/h2-5,11,14H,6-10H2,1H3
InChIKeyLVCPGDMPNBBDMU-UHFFFAOYSA-N
XLogP4.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909267
3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 95821253
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
1-[3-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]indol-1-yl]ethanone;dihydrochloride
CID 171304075
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
N'-hydroxy-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 77073352
1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909282
ethyl 2-iodo-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzoate
CID 169449797
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909276

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone (CID 171678908) is 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone is CC(=O)n1cc(CN2CCC(C(F)(F)F)CC2)c2ccccc21.
What is the InChIKey of 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone?
The InChIKey is LVCPGDMPNBBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-12(23)22-11-13(15-4-2-3-5-16(15)22)10-21-8-6-14(7-9-21)17(18,19)20/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone?
1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone has a molecular weight of 324.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone is sourced from PubChem (CID 171678908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).