5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

C15H20N6O3 — CID 166240043

IUPAC5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCn1nc(C2CC2)nc1CC(=O)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C15H20N6O3/c1-20-11(16-13(19-20)9-4-5-9)7-12(22)21-6-2-3-10(8-21)14-17-18-15(23)24-14/h9-10H,2-8H2,1H3,(H,18,23)
InChIKeyYVVIVYTWJPTSCK-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.32
Rot. Bonds4

About 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166240043) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166240043
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCn1nc(C2CC2)nc1CC(=O)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C15H20N6O3/c1-20-11(16-13(19-20)9-4-5-9)7-12(22)21-6-2-3-10(8-21)14-17-18-15(23)24-14/h9-10H,2-8H2,1H3,(H,18,23)
InChIKeyYVVIVYTWJPTSCK-UHFFFAOYSA-N
XLogP0.32
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 166240043) is 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is Cn1nc(C2CC2)nc1CC(=O)N1CCCC(c2n[nH]c(=O)o2)C1.
What is the InChIKey of 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is YVVIVYTWJPTSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-20-11(16-13(19-20)9-4-5-9)7-12(22)21-6-2-3-10(8-21)14-17-18-15(23)24-14/h9-10H,2-8H2,1H3,(H,18,23).
What are the key properties of 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 332.36 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166240043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).