1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole

C22H29N3O — CID 45377231

IUPAC1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole
SMILESCC(C)N1CCC(Oc2ccc(CN3CCc4ccccc43)cn2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)24-13-10-20(11-14-24)26-22-8-7-18(15-23-22)16-25-12-9-19-5-3-4-6-21(19)25/h3-8,15,17,20H,9-14,16H2,1-2H3
InChIKeyXGFXLUZRNRRUTR-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.90
Rot. Bonds5

About 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole

1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole (PubChem CID 45377231) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole
PubChem CID45377231
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole
SMILESCC(C)N1CCC(Oc2ccc(CN3CCc4ccccc43)cn2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)24-13-10-20(11-14-24)26-22-8-7-18(15-23-22)16-25-12-9-19-5-3-4-6-21(19)25/h3-8,15,17,20H,9-14,16H2,1-2H3
InChIKeyXGFXLUZRNRRUTR-UHFFFAOYSA-N
XLogP3.90
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole?
The IUPAC name of 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole (CID 45377231) is 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole is CC(C)N1CCC(Oc2ccc(CN3CCc4ccccc43)cn2)CC1.
What is the InChIKey of 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole?
The InChIKey is XGFXLUZRNRRUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)24-13-10-20(11-14-24)26-22-8-7-18(15-23-22)16-25-12-9-19-5-3-4-6-21(19)25/h3-8,15,17,20H,9-14,16H2,1-2H3.
What are the key properties of 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole?
1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole has a molecular weight of 351.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 45377231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).