4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate

C21H32N2O4 — CID 57269165

IUPAC4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)NCCCCOC(=O)c1ccccc1
InChIInChI=1S/C21H32N2O4/c1-20(2)13-10-14-21(3,4)23(20)27-19(25)22-15-8-9-16-26-18(24)17-11-6-5-7-12-17/h5-7,11-12H,8-10,13-16H2,1-4H3,(H,22,25)
InChIKeyARKKWMVEMSVLPU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.31
Rot. Bonds7

About 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate

4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate (PubChem CID 57269165) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate.

Molecular Properties

Compound Name4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate
PubChem CID57269165
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)NCCCCOC(=O)c1ccccc1
InChIInChI=1S/C21H32N2O4/c1-20(2)13-10-14-21(3,4)23(20)27-19(25)22-15-8-9-16-26-18(24)17-11-6-5-7-12-17/h5-7,11-12H,8-10,13-16H2,1-4H3,(H,22,25)
InChIKeyARKKWMVEMSVLPU-UHFFFAOYSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate 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-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate?
The IUPAC name of 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate (CID 57269165) is 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate.
What is the SMILES notation for 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate?
The canonical SMILES for 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate is CC1(C)CCCC(C)(C)N1OC(=O)NCCCCOC(=O)c1ccccc1.
What is the InChIKey of 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate?
The InChIKey is ARKKWMVEMSVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-20(2)13-10-14-21(3,4)23(20)27-19(25)22-15-8-9-16-26-18(24)17-11-6-5-7-12-17/h5-7,11-12H,8-10,13-16H2,1-4H3,(H,22,25).
What are the key properties of 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate?
4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate has a molecular weight of 376.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate is sourced from PubChem (CID 57269165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).