1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

C10H16N4O — CID 42890912

IUPAC1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C10H16N4O/c1-9-3-2-4-13(5-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyRQBNFJWYZLEGPE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds2

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

1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 42890912) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID42890912
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C10H16N4O/c1-9-3-2-4-13(5-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyRQBNFJWYZLEGPE-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 42890912) is 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is CC1CCCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is RQBNFJWYZLEGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-9-3-2-4-13(5-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 42890912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).