[4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate

C14H25N3O3 — CID 155161833

IUPAC[4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)CC(=O)N2CCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,11-12(18)16-5-4-6-16)20-13(19)17-9-7-15(3)8-10-17/h4-11H2,1-3H3
InChIKeyWKUFYIDEVCCKOK-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.77
Rot. Bonds3

About [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate

[4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate (PubChem CID 155161833) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate
PubChem CID155161833
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)CC(=O)N2CCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,11-12(18)16-5-4-6-16)20-13(19)17-9-7-15(3)8-10-17/h4-11H2,1-3H3
InChIKeyWKUFYIDEVCCKOK-UHFFFAOYSA-N
XLogP0.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate 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 [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate?
The IUPAC name of [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate (CID 155161833) is [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OC(C)(C)CC(=O)N2CCC2)CC1.
What is the InChIKey of [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate?
The InChIKey is WKUFYIDEVCCKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,11-12(18)16-5-4-6-16)20-13(19)17-9-7-15(3)8-10-17/h4-11H2,1-3H3.
What are the key properties of [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate?
[4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-1-yl)-2-methyl-4-oxobutan-2-yl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 155161833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).