1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one

C25H27FN2O — CID 174320699

IUPAC1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one
SMILESCn1cc(C(=O)CCC2CCN(C=Cc3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H27FN2O/c1-27-18-23(22-17-21(26)8-9-24(22)27)25(29)10-7-20-12-15-28(16-13-20)14-11-19-5-3-2-4-6-19/h2-6,8-9,11,14,17-18,20H,7,10,12-13,15-16H2,1H3
InChIKeyAHGDZXIXTBDZBK-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.66
Rot. Bonds6

About 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one

1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one (PubChem CID 174320699) has the molecular formula C25H27FN2O and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one
PubChem CID174320699
Molecular FormulaC25H27FN2O
Molecular Weight390.50 g/mol
Exact Mass390.21
IUPAC Name1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one
SMILESCn1cc(C(=O)CCC2CCN(C=Cc3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H27FN2O/c1-27-18-23(22-17-21(26)8-9-24(22)27)25(29)10-7-20-12-15-28(16-13-20)14-11-19-5-3-2-4-6-19/h2-6,8-9,11,14,17-18,20H,7,10,12-13,15-16H2,1H3
InChIKeyAHGDZXIXTBDZBK-UHFFFAOYSA-N
XLogP5.66
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride
CID 174330791
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10429753
3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10069100
1-(1-methylindol-3-yl)-3-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]propan-1-one;hydrochloride
CID 67881303
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
CID 164637052
1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 110655404
ethyl 2-(5-fluoro-1-methylindol-3-yl)-2-oxoacetate
CID 68526851
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
CID 114978262
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one (CID 174320699) is 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one is Cn1cc(C(=O)CCC2CCN(C=Cc3ccccc3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one?
The InChIKey is AHGDZXIXTBDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O/c1-27-18-23(22-17-21(26)8-9-24(22)27)25(29)10-7-20-12-15-28(16-13-20)14-11-19-5-3-2-4-6-19/h2-6,8-9,11,14,17-18,20H,7,10,12-13,15-16H2,1H3.
What are the key properties of 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one?
1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one has a molecular weight of 390.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 174320699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).