2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone

C15H24N4O3 — CID 74234121

IUPAC2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc(C3CCOCC3)n[nH]2)CC1
InChIInChI=1S/C15H24N4O3/c1-21-10-13(20)19-6-2-11(3-7-19)14-16-15(18-17-14)12-4-8-22-9-5-12/h11-12H,2-10H2,1H3,(H,16,17,18)
InChIKeyHQGSOANTRQLOAH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.05
Rot. Bonds4

About 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 74234121) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone
PubChem CID74234121
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc(C3CCOCC3)n[nH]2)CC1
InChIInChI=1S/C15H24N4O3/c1-21-10-13(20)19-6-2-11(3-7-19)14-16-15(18-17-14)12-4-8-22-9-5-12/h11-12H,2-10H2,1H3,(H,16,17,18)
InChIKeyHQGSOANTRQLOAH-UHFFFAOYSA-N
XLogP1.05
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone (CID 74234121) is 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2nc(C3CCOCC3)n[nH]2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is HQGSOANTRQLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-10-13(20)19-6-2-11(3-7-19)14-16-15(18-17-14)12-4-8-22-9-5-12/h11-12H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 74234121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).