2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C15H25N5O2 — CID 128967869

IUPAC2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCC1CCN(CC(=O)N2CCOC(c3nncn3C)C2)CC1
InChIInChI=1S/C15H25N5O2/c1-12-3-5-19(6-4-12)10-14(21)20-7-8-22-13(9-20)15-17-16-11-18(15)2/h11-13H,3-10H2,1-2H3
InChIKeyLOVOIEBFJUUNTN-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.45
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 128967869) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID128967869
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCC1CCN(CC(=O)N2CCOC(c3nncn3C)C2)CC1
InChIInChI=1S/C15H25N5O2/c1-12-3-5-19(6-4-12)10-14(21)20-7-8-22-13(9-20)15-17-16-11-18(15)2/h11-13H,3-10H2,1-2H3
InChIKeyLOVOIEBFJUUNTN-UHFFFAOYSA-N
XLogP0.45
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 128967869) is 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is CC1CCN(CC(=O)N2CCOC(c3nncn3C)C2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is LOVOIEBFJUUNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12-3-5-19(6-4-12)10-14(21)20-7-8-22-13(9-20)15-17-16-11-18(15)2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 307.40 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 128967869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).