ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate

C14H19NO4 — CID 78915855

IUPACethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1occc1C
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)11-6-4-5-8-15(11)13(16)12-10(2)7-9-19-12/h7,9,11H,3-6,8H2,1-2H3
InChIKeyFFEOYOLDQAURHL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.15
Rot. Bonds3

About ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate

ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate (PubChem CID 78915855) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
PubChem CID78915855
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1occc1C
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)11-6-4-5-8-15(11)13(16)12-10(2)7-9-19-12/h7,9,11H,3-6,8H2,1-2H3
InChIKeyFFEOYOLDQAURHL-UHFFFAOYSA-N
XLogP2.15
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79487941
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylate
CID 79490156
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl (2S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-2-carboxylate
CID 52812175
ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
CID 55446136
ethyl (2S)-1-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-2-carboxylate
CID 26326730

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate (CID 78915855) is ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1occc1C.
What is the InChIKey of ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is FFEOYOLDQAURHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-14(17)11-6-4-5-8-15(11)13(16)12-10(2)7-9-19-12/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate?
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 78915855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).