1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

C11H18N4O — CID 42890704

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C11H18N4O/c1-9-3-10(2)5-14(4-9)11(16)6-15-8-12-7-13-15/h7-10H,3-6H2,1-2H3
InChIKeyTUDLKZXGMBBAFU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 42890704) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID42890704
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C11H18N4O/c1-9-3-10(2)5-14(4-9)11(16)6-15-8-12-7-13-15/h7-10H,3-6H2,1-2H3
InChIKeyTUDLKZXGMBBAFU-UHFFFAOYSA-N
XLogP0.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 42890704) is 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is CC1CC(C)CN(C(=O)Cn2cncn2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is TUDLKZXGMBBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-3-10(2)5-14(4-9)11(16)6-15-8-12-7-13-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 42890704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).