2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

C21H21FN2O — CID 84559815

IUPAC2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H21FN2O/c22-17-7-5-15(6-8-17)13-21(25)24-11-9-16(10-12-24)19-14-23-20-4-2-1-3-18(19)20/h1-8,14,16,23H,9-13H2
InChIKeyODGDYZPNTGPJII-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 84559815) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID84559815
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H21FN2O/c22-17-7-5-15(6-8-17)13-21(25)24-11-9-16(10-12-24)19-14-23-20-4-2-1-3-18(19)20/h1-8,14,16,23H,9-13H2
InChIKeyODGDYZPNTGPJII-UHFFFAOYSA-N
XLogP4.26
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone (CID 84559815) is 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is ODGDYZPNTGPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-17-7-5-15(6-8-17)13-21(25)24-11-9-16(10-12-24)19-14-23-20-4-2-1-3-18(19)20/h1-8,14,16,23H,9-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 336.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 84559815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).