3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole

C16H18N4OS — CID 126951949

IUPAC3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
SMILESCn1ccc2c(OC3CCN(c4cnsn4)CC3)cccc21
InChIInChI=1S/C16H18N4OS/c1-19-8-7-13-14(19)3-2-4-15(13)21-12-5-9-20(10-6-12)16-11-17-22-18-16/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyUBFAJCYSQBJISD-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.08
Rot. Bonds3

About 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole

3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole (PubChem CID 126951949) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
PubChem CID126951949
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
SMILESCn1ccc2c(OC3CCN(c4cnsn4)CC3)cccc21
InChIInChI=1S/C16H18N4OS/c1-19-8-7-13-14(19)3-2-4-15(13)21-12-5-9-20(10-6-12)16-11-17-22-18-16/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyUBFAJCYSQBJISD-UHFFFAOYSA-N
XLogP3.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole (CID 126951949) is 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole is Cn1ccc2c(OC3CCN(c4cnsn4)CC3)cccc21.
What is the InChIKey of 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole?
The InChIKey is UBFAJCYSQBJISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-19-8-7-13-14(19)3-2-4-15(13)21-12-5-9-20(10-6-12)16-11-17-22-18-16/h2-4,7-8,11-12H,5-6,9-10H2,1H3.
What are the key properties of 3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole?
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole has a molecular weight of 314.41 g/mol, XLogP of 3.08, 3 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]-1,2,5-thiadiazole is sourced from PubChem (CID 126951949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).