3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one

C25H29FN2O — CID 10069100

IUPAC3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(C(=O)CCC2CCN(Cc3cccc(CF)c3)CC2)c2ccccc21
InChIInChI=1S/C25H29FN2O/c1-27-18-23(22-7-2-3-8-24(22)27)25(29)10-9-19-11-13-28(14-12-19)17-21-6-4-5-20(15-21)16-26/h2-8,15,18-19H,9-14,16-17H2,1H3
InChIKeyKMKYWOVDHUEDBV-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.52
Rot. Bonds7

About 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one

3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one (PubChem CID 10069100) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
PubChem CID10069100
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(C(=O)CCC2CCN(Cc3cccc(CF)c3)CC2)c2ccccc21
InChIInChI=1S/C25H29FN2O/c1-27-18-23(22-7-2-3-8-24(22)27)25(29)10-9-19-11-13-28(14-12-19)17-21-6-4-5-20(15-21)16-26/h2-8,15,18-19H,9-14,16-17H2,1H3
InChIKeyKMKYWOVDHUEDBV-UHFFFAOYSA-N
XLogP5.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10429753
1-(1-methylindol-3-yl)-3-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]propan-1-one;hydrochloride
CID 67881303
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one
CID 174320699
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
3-(1-benzylpiperidin-4-yl)-1-(4-chloro-1-methylindazol-3-yl)propan-1-one
CID 170857825
1-(2-tert-butylquinolin-4-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]propan-1-one
CID 15581673
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
1-(1-methylindol-3-yl)-3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-en-1-one
CID 67881191

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one (CID 10069100) is 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one is Cn1cc(C(=O)CCC2CCN(Cc3cccc(CF)c3)CC2)c2ccccc21.
What is the InChIKey of 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
The InChIKey is KMKYWOVDHUEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-27-18-23(22-7-2-3-8-24(22)27)25(29)10-9-19-11-13-28(14-12-19)17-21-6-4-5-20(15-21)16-26/h2-8,15,18-19H,9-14,16-17H2,1H3.
What are the key properties of 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one has a molecular weight of 392.52 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 10069100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).