ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate

C14H20N2O4 — CID 46942814

IUPACethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C14H20N2O4/c1-4-19-13(18)14(3)6-5-7-16(9-14)12(17)11-8-10(2)20-15-11/h8H,4-7,9H2,1-3H3
InChIKeyJLVZITSIJKFSNH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.79
Rot. Bonds3

About ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate

ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 46942814) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID46942814
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C14H20N2O4/c1-4-19-13(18)14(3)6-5-7-16(9-14)12(17)11-8-10(2)20-15-11/h8H,4-7,9H2,1-3H3
InChIKeyJLVZITSIJKFSNH-UHFFFAOYSA-N
XLogP1.79
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate (CID 46942814) is ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(C)CCCN(C(=O)c2cc(C)on2)C1.
What is the InChIKey of ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is JLVZITSIJKFSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-19-13(18)14(3)6-5-7-16(9-14)12(17)11-8-10(2)20-15-11/h8H,4-7,9H2,1-3H3.
What are the key properties of ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 46942814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).