ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate

C15H21NO4 — CID 110697653

IUPACethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(C)c(C)o2)CC1
InChIInChI=1S/C15H21NO4/c1-4-19-15(18)12-5-7-16(8-6-12)14(17)13-9-10(2)11(3)20-13/h9,12H,4-8H2,1-3H3
InChIKeyLCXSUQQONBOFSF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.31
Rot. Bonds3

About ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate (PubChem CID 110697653) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
PubChem CID110697653
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(C)c(C)o2)CC1
InChIInChI=1S/C15H21NO4/c1-4-19-15(18)12-5-7-16(8-6-12)14(17)13-9-10(2)11(3)20-13/h9,12H,4-8H2,1-3H3
InChIKeyLCXSUQQONBOFSF-UHFFFAOYSA-N
XLogP2.31
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate (CID 110697653) is ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(C)c(C)o2)CC1.
What is the InChIKey of ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is LCXSUQQONBOFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-19-15(18)12-5-7-16(8-6-12)14(17)13-9-10(2)11(3)20-13/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 110697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).