2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone

C12H18N4O2 — CID 82202534

IUPAC2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone
SMILESCC(=O)c1nnn(CC(=O)N2CCCCC2)c1C
InChIInChI=1S/C12H18N4O2/c1-9-12(10(2)17)13-14-16(9)8-11(18)15-6-4-3-5-7-15/h3-8H2,1-2H3
InChIKeySIEXJTJSUFSHHL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.80
Rot. Bonds3

About 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone

2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 82202534) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID82202534
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone
SMILESCC(=O)c1nnn(CC(=O)N2CCCCC2)c1C
InChIInChI=1S/C12H18N4O2/c1-9-12(10(2)17)13-14-16(9)8-11(18)15-6-4-3-5-7-15/h3-8H2,1-2H3
InChIKeySIEXJTJSUFSHHL-UHFFFAOYSA-N
XLogP0.80
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone (CID 82202534) is 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone is CC(=O)c1nnn(CC(=O)N2CCCCC2)c1C.
What is the InChIKey of 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is SIEXJTJSUFSHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-12(10(2)17)13-14-16(9)8-11(18)15-6-4-3-5-7-15/h3-8H2,1-2H3.
What are the key properties of 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone?
2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 82202534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).