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

C11H16N4O2 — CID 58664373

IUPAC1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C11H16N4O2/c1-9(16)10-2-4-14(5-3-10)11(17)6-15-8-12-7-13-15/h7-8,10H,2-6H2,1H3
InChIKeyNNTAZBJDOVGPKA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.11
Rot. Bonds3

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

1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 58664373) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID58664373
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C11H16N4O2/c1-9(16)10-2-4-14(5-3-10)11(17)6-15-8-12-7-13-15/h7-8,10H,2-6H2,1H3
InChIKeyNNTAZBJDOVGPKA-UHFFFAOYSA-N
XLogP0.11
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448
4-ethyl-2-methyl-5-{1-[2-(1H-1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56743079
2-(1H-1,2,4-triazol-1-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethan-1-one
CID 126855033
N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 132379939
3,7-dimethyl-11-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecane
CID 56746751
1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide
CID 75461997
1-Piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
CID 13036593
1-(4-Acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 58664368
1-[2-(Tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde
CID 87728947

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 58664373) is 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is CC(=O)C1CCN(C(=O)Cn2cncn2)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is NNTAZBJDOVGPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(16)10-2-4-14(5-3-10)11(17)6-15-8-12-7-13-15/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 58664373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).