1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one

C13H24N2O — CID 135298818

IUPAC1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one
SMILESCC1CC(=O)N1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-10-9-12(16)15(10)11-5-7-14(8-6-11)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyAIRPCVVUFVBVIY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds1

About 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one

1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one (PubChem CID 135298818) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one
PubChem CID135298818
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one
SMILESCC1CC(=O)N1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-10-9-12(16)15(10)11-5-7-14(8-6-11)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyAIRPCVVUFVBVIY-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one (CID 135298818) is 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one is CC1CC(=O)N1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one?
The InChIKey is AIRPCVVUFVBVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-9-12(16)15(10)11-5-7-14(8-6-11)13(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one?
1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one is sourced from PubChem (CID 135298818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).