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

C21H32N2O4 — CID 19090578

IUPAC[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCCCCNC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C21H32N2O4/c1-6-7-13-22-19(25)27-23-20(2,3)14-17(15-21(23,4)5)26-18(24)16-11-9-8-10-12-16/h8-12,17H,6-7,13-15H2,1-5H3,(H,22,25)
InChIKeyORVPAHHOJBMKDY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.31
Rot. Bonds6

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

[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 19090578) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID19090578
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCCCCNC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C21H32N2O4/c1-6-7-13-22-19(25)27-23-20(2,3)14-17(15-21(23,4)5)26-18(24)16-11-9-8-10-12-16/h8-12,17H,6-7,13-15H2,1-5H3,(H,22,25)
InChIKeyORVPAHHOJBMKDY-UHFFFAOYSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 19090578) is [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CCCCNC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is ORVPAHHOJBMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-6-7-13-22-19(25)27-23-20(2,3)14-17(15-21(23,4)5)26-18(24)16-11-9-8-10-12-16/h8-12,17H,6-7,13-15H2,1-5H3,(H,22,25).
What are the key properties of [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 376.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 19090578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).