1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol

C23H29N3O3 — CID 21198127

IUPAC1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCCc1cc2c(OCCC(O)N3CCC(O)(c4cccnc4)CC3)cccc2[nH]1
InChIInChI=1S/C23H29N3O3/c1-2-18-15-19-20(25-18)6-3-7-21(19)29-14-8-22(27)26-12-9-23(28,10-13-26)17-5-4-11-24-16-17/h3-7,11,15-16,22,25,27-28H,2,8-10,12-14H2,1H3
InChIKeyFQCGMBCWGSVANA-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.20
Rot. Bonds7

About 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol

1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 21198127) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID21198127
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCCc1cc2c(OCCC(O)N3CCC(O)(c4cccnc4)CC3)cccc2[nH]1
InChIInChI=1S/C23H29N3O3/c1-2-18-15-19-20(25-18)6-3-7-21(19)29-14-8-22(27)26-12-9-23(28,10-13-26)17-5-4-11-24-16-17/h3-7,11,15-16,22,25,27-28H,2,8-10,12-14H2,1H3
InChIKeyFQCGMBCWGSVANA-UHFFFAOYSA-N
XLogP3.20
TPSA81.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol (CID 21198127) is 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol is CCc1cc2c(OCCC(O)N3CCC(O)(c4cccnc4)CC3)cccc2[nH]1.
What is the InChIKey of 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is FQCGMBCWGSVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-18-15-19-20(25-18)6-3-7-21(19)29-14-8-22(27)26-12-9-23(28,10-13-26)17-5-4-11-24-16-17/h3-7,11,15-16,22,25,27-28H,2,8-10,12-14H2,1H3.
What are the key properties of 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 395.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethyl-1H-indol-4-yl)oxy]-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 21198127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).