ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate

C16H23NO4 — CID 46948248

IUPACethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C16H23NO4/c1-5-20-15(19)16(4)7-6-8-17(10-16)14(18)13-9-11(2)21-12(13)3/h9H,5-8,10H2,1-4H3
InChIKeyZRMMUNLWHNNTKC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.70
Rot. Bonds3

About ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate

ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate (PubChem CID 46948248) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate
PubChem CID46948248
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C16H23NO4/c1-5-20-15(19)16(4)7-6-8-17(10-16)14(18)13-9-11(2)21-12(13)3/h9H,5-8,10H2,1-4H3
InChIKeyZRMMUNLWHNNTKC-UHFFFAOYSA-N
XLogP2.70
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate (CID 46948248) is ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate is CCOC(=O)C1(C)CCCN(C(=O)c2cc(C)oc2C)C1.
What is the InChIKey of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate?
The InChIKey is ZRMMUNLWHNNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-15(19)16(4)7-6-8-17(10-16)14(18)13-9-11(2)21-12(13)3/h9H,5-8,10H2,1-4H3.
What are the key properties of ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate?
ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,5-dimethylfuran-3-carbonyl)-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 46948248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).