1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

C21H20F2N2O — CID 113087637

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H20F2N2O/c22-16-3-1-2-14(10-16)11-21(26)25-8-6-15(7-9-25)19-13-24-20-12-17(23)4-5-18(19)20/h1-5,10,12-13,15,24H,6-9,11H2
InChIKeyAHCSXZLKXBSRKL-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.39
Rot. Bonds3

About 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 113087637) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID113087637
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H20F2N2O/c22-16-3-1-2-14(10-16)11-21(26)25-8-6-15(7-9-25)19-13-24-20-12-17(23)4-5-18(19)20/h1-5,10,12-13,15,24H,6-9,11H2
InChIKeyAHCSXZLKXBSRKL-UHFFFAOYSA-N
XLogP4.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 113087637) is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is AHCSXZLKXBSRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c22-16-3-1-2-14(10-16)11-21(26)25-8-6-15(7-9-25)19-13-24-20-12-17(23)4-5-18(19)20/h1-5,10,12-13,15,24H,6-9,11H2.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 354.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 113087637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).