1-(1-piperidin-3-yltriazol-4-yl)ethanone

C9H14N4O — CID 164663675

IUPAC1-(1-piperidin-3-yltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C2CCCNC2)nn1
InChIInChI=1S/C9H14N4O/c1-7(14)9-6-13(12-11-9)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3
InChIKeyOXOAHEPLWWPHSU-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.41
Rot. Bonds2

About 1-(1-piperidin-3-yltriazol-4-yl)ethanone

1-(1-piperidin-3-yltriazol-4-yl)ethanone (PubChem CID 164663675) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(1-piperidin-3-yltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-piperidin-3-yltriazol-4-yl)ethanone
PubChem CID164663675
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(1-piperidin-3-yltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C2CCCNC2)nn1
InChIInChI=1S/C9H14N4O/c1-7(14)9-6-13(12-11-9)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3
InChIKeyOXOAHEPLWWPHSU-UHFFFAOYSA-N
XLogP0.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-3-yltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-piperidin-3-yltriazol-4-yl)ethanone (CID 164663675) is 1-(1-piperidin-3-yltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-piperidin-3-yltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-piperidin-3-yltriazol-4-yl)ethanone is CC(=O)c1cn(C2CCCNC2)nn1.
What is the InChIKey of 1-(1-piperidin-3-yltriazol-4-yl)ethanone?
The InChIKey is OXOAHEPLWWPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(14)9-6-13(12-11-9)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 1-(1-piperidin-3-yltriazol-4-yl)ethanone?
1-(1-piperidin-3-yltriazol-4-yl)ethanone has a molecular weight of 194.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-3-yltriazol-4-yl)ethanone is sourced from PubChem (CID 164663675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).