2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one

C11H16N4O — CID 175445816

IUPAC2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESCn1cc(C2CC(=O)CC(C3CC3)N2)nn1
InChIInChI=1S/C11H16N4O/c1-15-6-11(13-14-15)10-5-8(16)4-9(12-10)7-2-3-7/h6-7,9-10,12H,2-5H2,1H3
InChIKeyQTISBIBVCIPRGM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.59
Rot. Bonds2

About 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one

2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one (PubChem CID 175445816) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
PubChem CID175445816
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESCn1cc(C2CC(=O)CC(C3CC3)N2)nn1
InChIInChI=1S/C11H16N4O/c1-15-6-11(13-14-15)10-5-8(16)4-9(12-10)7-2-3-7/h6-7,9-10,12H,2-5H2,1H3
InChIKeyQTISBIBVCIPRGM-UHFFFAOYSA-N
XLogP0.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The IUPAC name of 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one (CID 175445816) is 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one is Cn1cc(C2CC(=O)CC(C3CC3)N2)nn1.
What is the InChIKey of 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The InChIKey is QTISBIBVCIPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15-6-11(13-14-15)10-5-8(16)4-9(12-10)7-2-3-7/h6-7,9-10,12H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one has a molecular weight of 220.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one is sourced from PubChem (CID 175445816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).