ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate

C14H25NO4 — CID 79414013

IUPACethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(C)C(=O)OC)CC1
InChIInChI=1S/C14H25NO4/c1-5-19-14(17)12-6-8-15(9-7-12)11(3)10(2)13(16)18-4/h10-12H,5-9H2,1-4H3
InChIKeyJAADYEFOYDOFOT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.46
Rot. Bonds5

About ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate

ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate (PubChem CID 79414013) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
PubChem CID79414013
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(C)C(=O)OC)CC1
InChIInChI=1S/C14H25NO4/c1-5-19-14(17)12-6-8-15(9-7-12)11(3)10(2)13(16)18-4/h10-12H,5-9H2,1-4H3
InChIKeyJAADYEFOYDOFOT-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103498157
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
CID 79406986
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718783
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate (CID 79414013) is ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)C(C)C(=O)OC)CC1.
What is the InChIKey of ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate?
The InChIKey is JAADYEFOYDOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-19-14(17)12-6-8-15(9-7-12)11(3)10(2)13(16)18-4/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate?
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 79414013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).