methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate

C19H27NO4 — CID 5282357

IUPACmethyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate
SMILESCOC(=O)C1(OC(=O)c2ccccc2)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H27NO4/c1-17(2)12-19(16(22)23-6,13-18(3,4)20(17)5)24-15(21)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKeyMJMZACWQGQGLBI-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.04
Rot. Bonds3

About methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate

methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate (PubChem CID 5282357) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate
PubChem CID5282357
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate
SMILESCOC(=O)C1(OC(=O)c2ccccc2)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H27NO4/c1-17(2)12-19(16(22)23-6,13-18(3,4)20(17)5)24-15(21)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKeyMJMZACWQGQGLBI-UHFFFAOYSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate (CID 5282357) is methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate is COC(=O)C1(OC(=O)c2ccccc2)CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The InChIKey is MJMZACWQGQGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-17(2)12-19(16(22)23-6,13-18(3,4)20(17)5)24-15(21)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3.
What are the key properties of methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzoyloxy-1,2,2,6,6-pentamethylpiperidine-4-carboxylate is sourced from PubChem (CID 5282357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).