1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate

C14H23NO4 — CID 172763853

IUPAC1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
SMILESC=C1CCC(C(=O)OCC)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO4/c1-6-18-12(16)11-8-7-10(2)9-15(11)13(17)19-14(3,4)5/h11H,2,6-9H2,1,3-5H3
InChIKeyMAXYPQRESBAOIU-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.51
Rot. Bonds2

About 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate (PubChem CID 172763853) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
PubChem CID172763853
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
SMILESC=C1CCC(C(=O)OCC)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO4/c1-6-18-12(16)11-8-7-10(2)9-15(11)13(17)19-14(3,4)5/h11H,2,6-9H2,1,3-5H3
InChIKeyMAXYPQRESBAOIU-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
CID 152995833
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
1-O-tert-butyl 2-O-ethyl 5-fluoropiperidine-1,2-dicarboxylate
CID 83855010
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
tert-butyl 2-carbamoyl-4-methylidenepyrrolidine-1-carboxylate
CID 66629943
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971
1-O-tert-butyl 2-O-ethyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 91825949
tert-butyl (2S)-2-acetyl-4-methylidenepyrrolidine-1-carboxylate;ethane
CID 144773533
(2S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 42553065
1-O-tert-butyl 2-O-ethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 12709318
1-O-tert-butyl 2-O-ethyl (2R)-5-methylsulfonyloxypiperidine-1,2-dicarboxylate
CID 163219567

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate (CID 172763853) is 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate is C=C1CCC(C(=O)OCC)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate?
The InChIKey is MAXYPQRESBAOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-6-18-12(16)11-8-7-10(2)9-15(11)13(17)19-14(3,4)5/h11H,2,6-9H2,1,3-5H3.
What are the key properties of 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate is sourced from PubChem (CID 172763853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).