3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C21H27N5O — CID 126952047

IUPAC3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1ccc2c(OC3CCN(Cc4nnc5n4CCCC5)CC3)cccc21
InChIInChI=1S/C21H27N5O/c1-24-12-10-17-18(24)5-4-6-19(17)27-16-8-13-25(14-9-16)15-21-23-22-20-7-2-3-11-26(20)21/h4-6,10,12,16H,2-3,7-9,11,13-15H2,1H3
InChIKeyUXNHFPWSJBMIHK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.15
Rot. Bonds4

About 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 126952047) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID126952047
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1ccc2c(OC3CCN(Cc4nnc5n4CCCC5)CC3)cccc21
InChIInChI=1S/C21H27N5O/c1-24-12-10-17-18(24)5-4-6-19(17)27-16-8-13-25(14-9-16)15-21-23-22-20-7-2-3-11-26(20)21/h4-6,10,12,16H,2-3,7-9,11,13-15H2,1H3
InChIKeyUXNHFPWSJBMIHK-UHFFFAOYSA-N
XLogP3.15
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126952067
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951530
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126951991
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126951986
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
3-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 164634893
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
2-[4-[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126953033
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 126952047) is 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cn1ccc2c(OC3CCN(Cc4nnc5n4CCCC5)CC3)cccc21.
What is the InChIKey of 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UXNHFPWSJBMIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-12-10-17-18(24)5-4-6-19(17)27-16-8-13-25(14-9-16)15-21-23-22-20-7-2-3-11-26(20)21/h4-6,10,12,16H,2-3,7-9,11,13-15H2,1H3.
What are the key properties of 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 365.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 126952047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).