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

C24H27FN2O — CID 10429753

IUPAC3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(C(=O)CCC2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H27FN2O/c1-26-17-22(21-4-2-3-5-23(21)26)24(28)11-8-18-12-14-27(15-13-18)16-19-6-9-20(25)10-7-19/h2-7,9-10,17-18H,8,11-16H2,1H3
InChIKeyASKXEJJVRJLRGM-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.19
Rot. Bonds6

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

3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one (PubChem CID 10429753) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
PubChem CID10429753
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(C(=O)CCC2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H27FN2O/c1-26-17-22(21-4-2-3-5-23(21)26)24(28)11-8-18-12-14-27(15-13-18)16-19-6-9-20(25)10-7-19/h2-7,9-10,17-18H,8,11-16H2,1H3
InChIKeyASKXEJJVRJLRGM-UHFFFAOYSA-N
XLogP5.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10069100
1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one
CID 174320699
N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605
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-[3-[(4-fluorophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 70207320
1-[3-[(4-fluorophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 18620639
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
1-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 4273313
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one (CID 10429753) is 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one is Cn1cc(C(=O)CCC2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
The InChIKey is ASKXEJJVRJLRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-26-17-22(21-4-2-3-5-23(21)26)24(28)11-8-18-12-14-27(15-13-18)16-19-6-9-20(25)10-7-19/h2-7,9-10,17-18H,8,11-16H2,1H3.
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one?
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one has a molecular weight of 378.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 10429753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).