1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone

C20H20FN3O — CID 22370275

IUPAC1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)n1cc(C2CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C20H20FN3O/c21-16-1-2-19-17(12-16)18(15-5-9-23-10-6-15)13-24(19)20(25)11-14-3-7-22-8-4-14/h1-4,7-8,12-13,15,23H,5-6,9-11H2
InChIKeyBGECEQKQFOQCAD-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.53
Rot. Bonds3

About 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone

1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone (PubChem CID 22370275) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone
PubChem CID22370275
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)n1cc(C2CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C20H20FN3O/c21-16-1-2-19-17(12-16)18(15-5-9-23-10-6-15)13-24(19)20(25)11-14-3-7-22-8-4-14/h1-4,7-8,12-13,15,23H,5-6,9-11H2
InChIKeyBGECEQKQFOQCAD-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-Fluoro CUMYL-PICA
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Brevianamide F
CID 181567
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CID 10311044
N-Palmitoyltryptamine
CID 3726592
Cinnamoyl tryptamine
CID 823206

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone (CID 22370275) is 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)n1cc(C2CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone?
The InChIKey is BGECEQKQFOQCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-1-2-19-17(12-16)18(15-5-9-23-10-6-15)13-24(19)20(25)11-14-3-7-22-8-4-14/h1-4,7-8,12-13,15,23H,5-6,9-11H2.
What are the key properties of 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone?
1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone has a molecular weight of 337.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 22370275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).