ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate

C20H26N2O5 — CID 75768338

IUPACethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C)Oc3ccccc3N(CC)C2=O)CC1
InChIInChI=1S/C20H26N2O5/c1-4-22-15-8-6-7-9-16(15)27-20(3,19(22)25)18(24)21-12-10-14(11-13-21)17(23)26-5-2/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyFFCWGUFYSWPCAE-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.99
Rot. Bonds4

About ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 75768338) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate
PubChem CID75768338
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C)Oc3ccccc3N(CC)C2=O)CC1
InChIInChI=1S/C20H26N2O5/c1-4-22-15-8-6-7-9-16(15)27-20(3,19(22)25)18(24)21-12-10-14(11-13-21)17(23)26-5-2/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyFFCWGUFYSWPCAE-UHFFFAOYSA-N
XLogP1.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxylate
CID 75767836
ethyl 1-[(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)methyl]piperidine-4-carboxylate
CID 1202162
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
ethyl 1-(2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)piperidine-2-carboxylate
CID 75795787
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
ethyl 1-[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 17080683
ethyl 4-methyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-carboxylate
CID 92592951
ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
CID 92715776
ethyl 1-[(3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9350886
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate (CID 75768338) is ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(C)Oc3ccccc3N(CC)C2=O)CC1.
What is the InChIKey of ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is FFCWGUFYSWPCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-4-22-15-8-6-7-9-16(15)27-20(3,19(22)25)18(24)21-12-10-14(11-13-21)17(23)26-5-2/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 75768338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).