2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C15H22N4O2S — CID 135144779

IUPAC2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)N1CCC2(CC(N3CCC(c4ncns4)CC3)C2)C1
InChIInChI=1S/C15H22N4O2S/c20-14(21)19-6-3-15(9-19)7-12(8-15)18-4-1-11(2-5-18)13-16-10-17-22-13/h10-12H,1-9H2,(H,20,21)
InChIKeyXXGUHFYYEHZNOX-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.25
Rot. Bonds2

About 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 135144779) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID135144779
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)N1CCC2(CC(N3CCC(c4ncns4)CC3)C2)C1
InChIInChI=1S/C15H22N4O2S/c20-14(21)19-6-3-15(9-19)7-12(8-15)18-4-1-11(2-5-18)13-16-10-17-22-13/h10-12H,1-9H2,(H,20,21)
InChIKeyXXGUHFYYEHZNOX-UHFFFAOYSA-N
XLogP2.25
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 135144779) is 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is O=C(O)N1CCC2(CC(N3CCC(c4ncns4)CC3)C2)C1.
What is the InChIKey of 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is XXGUHFYYEHZNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c20-14(21)19-6-3-15(9-19)7-12(8-15)18-4-1-11(2-5-18)13-16-10-17-22-13/h10-12H,1-9H2,(H,20,21).
What are the key properties of 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 322.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 135144779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).