1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

C11H18N4O — CID 45095445

IUPAC1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cn1cncn1
InChIInChI=1S/C11H18N4O/c1-2-10-5-3-4-6-15(10)11(16)7-14-9-12-8-13-14/h8-10H,2-7H2,1H3
InChIKeyMVBBAKQQOIXNLI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.07
Rot. Bonds3

About 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 45095445) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID45095445
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cn1cncn1
InChIInChI=1S/C11H18N4O/c1-2-10-5-3-4-6-15(10)11(16)7-14-9-12-8-13-14/h8-10H,2-7H2,1H3
InChIKeyMVBBAKQQOIXNLI-UHFFFAOYSA-N
XLogP1.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethanone
CID 656255
N-Cyclohexyl-N-methyl-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide
CID 749658
1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 45803389
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
1-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 47138867
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
1-[2-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 53610678
1-[3-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 56780658

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 45095445) is 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is CCC1CCCCN1C(=O)Cn1cncn1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is MVBBAKQQOIXNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-10-5-3-4-6-15(10)11(16)7-14-9-12-8-13-14/h8-10H,2-7H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 45095445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).