1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate

C13H21NO5 — CID 15928262

IUPAC1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyYAVQLRUBKDCOCI-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.52
Rot. Bonds2

About 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate (PubChem CID 15928262) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
PubChem CID15928262
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyYAVQLRUBKDCOCI-UHFFFAOYSA-N
XLogP1.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 174717068
1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
CID 172763853
1-O,2-O-ditert-butyl 3-O-ethyl 5-oxodiazinane-1,2,3-tricarboxylate
CID 176804428
5-O-tert-butyl 4-O-ethyl 5-azaspiro[2.4]heptane-4,5-dicarboxylate
CID 118332036
1-O-tert-butyl 2-O,4-O-diethyl (2S)-5-oxopyrrolidine-1,2,4-tricarboxylate
CID 171733199
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
1-O-tert-butyl 2-O-ethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 12709318
1-O-tert-butyl 2-O-ethyl 4-pyrrolidin-1-ylpiperidine-1,2-dicarboxylate
CID 77265324
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate (CID 15928262) is 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate is CCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate?
The InChIKey is YAVQLRUBKDCOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate has a molecular weight of 271.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate is sourced from PubChem (CID 15928262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).