1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate

C15H25NO5 — CID 82124676

IUPAC1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(C(C)=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO5/c1-6-20-12(18)15(11(2)17)7-9-16(10-8-15)13(19)21-14(3,4)5/h6-10H2,1-5H3
InChIKeyGLBCHSPQVZSUNR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.16
Rot. Bonds3

About 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate (PubChem CID 82124676) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
PubChem CID82124676
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(C(C)=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO5/c1-6-20-12(18)15(11(2)17)7-9-16(10-8-15)13(19)21-14(3,4)5/h6-10H2,1-5H3
InChIKeyGLBCHSPQVZSUNR-UHFFFAOYSA-N
XLogP2.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.16
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

4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 132989321
1-O-tert-butyl 4-O-ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-1,4-dicarboxylate
CID 71507823
1-O-tert-butyl 4-O-ethyl 4-propan-2-ylpiperidine-1,4-dicarboxylate
CID 53393416
1-O-tert-butyl 4-O-ethyl 4-ethenylpiperidine-1,4-dicarboxylate
CID 118176170
1-O-tert-butyl 4-O-ethyl 4-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxylate
CID 59527747
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
1-O-tert-butyl 4-O-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate;hydrochloride
CID 77230486
1-O-tert-butyl 4-O-ethyl 4-[2-(methylamino)ethyl]piperidine-1,4-dicarboxylate
CID 58893172
1-O-tert-butyl 4-O-ethyl (4S)-4-methyl-3-oxopiperidine-1,4-dicarboxylate
CID 124585757
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate (CID 82124676) is 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate is CCOC(=O)C1(C(C)=O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate?
The InChIKey is GLBCHSPQVZSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-6-20-12(18)15(11(2)17)7-9-16(10-8-15)13(19)21-14(3,4)5/h6-10H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 82124676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).