1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one

C23H27FN2O — CID 11726428

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C23H27FN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2
InChIKeyYKTICKJUTVSZBR-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.67
Rot. Bonds6

About 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one

1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one (PubChem CID 11726428) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one
PubChem CID11726428
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C23H27FN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2
InChIKeyYKTICKJUTVSZBR-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one (CID 11726428) is 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one is O=C(CCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one?
The InChIKey is YKTICKJUTVSZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one has a molecular weight of 366.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 11726428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).