2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole

C16H18N4OS — CID 126951544

IUPAC2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(Oc3cccc4[nH]ccc34)CC2)s1
InChIInChI=1S/C16H18N4OS/c1-11-18-19-16(22-11)20-9-6-12(7-10-20)21-15-4-2-3-14-13(15)5-8-17-14/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyHXYFAISCESWOOG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.38
Rot. Bonds3

About 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126951544) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID126951544
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(Oc3cccc4[nH]ccc34)CC2)s1
InChIInChI=1S/C16H18N4OS/c1-11-18-19-16(22-11)20-9-6-12(7-10-20)21-15-4-2-3-14-13(15)5-8-17-14/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyHXYFAISCESWOOG-UHFFFAOYSA-N
XLogP3.38
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 126951544) is 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCC(Oc3cccc4[nH]ccc34)CC2)s1.
What is the InChIKey of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is HXYFAISCESWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-18-19-16(22-11)20-9-6-12(7-10-20)21-15-4-2-3-14-13(15)5-8-17-14/h2-5,8,12,17H,6-7,9-10H2,1H3.
What are the key properties of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 314.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126951544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).