[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone

C21H22FN3O2 — CID 67132450

IUPAC[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESCC1CCC(COc2ccc(F)cn2)CN1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C21H22FN3O2/c1-14-5-6-15(13-27-19-8-7-17(22)11-24-19)12-25(14)21(26)18-4-2-3-16-9-10-23-20(16)18/h2-4,7-11,14-15,23H,5-6,12-13H2,1H3
InChIKeyAZVRNCHGYXJASK-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.02
Rot. Bonds4

About [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone

[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 67132450) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID67132450
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESCC1CCC(COc2ccc(F)cn2)CN1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C21H22FN3O2/c1-14-5-6-15(13-27-19-8-7-17(22)11-24-19)12-25(14)21(26)18-4-2-3-16-9-10-23-20(16)18/h2-4,7-11,14-15,23H,5-6,12-13H2,1H3
InChIKeyAZVRNCHGYXJASK-UHFFFAOYSA-N
XLogP4.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone (CID 67132450) is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone is CC1CCC(COc2ccc(F)cn2)CN1C(=O)c1cccc2cc[nH]c12.
What is the InChIKey of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is AZVRNCHGYXJASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-5-6-15(13-27-19-8-7-17(22)11-24-19)12-25(14)21(26)18-4-2-3-16-9-10-23-20(16)18/h2-4,7-11,14-15,23H,5-6,12-13H2,1H3.
What are the key properties of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone?
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 367.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 67132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).