1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone

C11H18N4O — CID 107062017

IUPAC1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(C)CCCNC2)nn1
InChIInChI=1S/C11H18N4O/c1-11(4-3-5-12-8-11)10(16)6-9-7-15(2)14-13-9/h7,12H,3-6,8H2,1-2H3
InChIKeyTUIFJAVMZYUNPB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.32
Rot. Bonds3

About 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062017) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062017
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(C)CCCNC2)nn1
InChIInChI=1S/C11H18N4O/c1-11(4-3-5-12-8-11)10(16)6-9-7-15(2)14-13-9/h7,12H,3-6,8H2,1-2H3
InChIKeyTUIFJAVMZYUNPB-UHFFFAOYSA-N
XLogP0.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107062017) is 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)C2(C)CCCNC2)nn1.
What is the InChIKey of 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is TUIFJAVMZYUNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(4-3-5-12-8-11)10(16)6-9-7-15(2)14-13-9/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).