ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate

C14H19NO4 — CID 110690641

IUPACethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccco2)C1
InChIInChI=1S/C14H19NO4/c1-2-18-14(17)11-5-3-7-15(10-11)13(16)9-12-6-4-8-19-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3
InChIKeyXAJMTJSZECEYJX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds4

About ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate (PubChem CID 110690641) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
PubChem CID110690641
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccco2)C1
InChIInChI=1S/C14H19NO4/c1-2-18-14(17)11-5-3-7-15(10-11)13(16)9-12-6-4-8-19-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3
InChIKeyXAJMTJSZECEYJX-UHFFFAOYSA-N
XLogP1.62
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
CID 110690844
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
CID 42472892
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
ethyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)carbamimidoyl]piperidine-3-carboxylate
CID 110994537
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl (3S)-1-[2-[4-[furan-2-carbonyl-[(4-methoxyphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329466

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate (CID 110690641) is ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccco2)C1.
What is the InChIKey of ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is XAJMTJSZECEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-18-14(17)11-5-3-7-15(10-11)13(16)9-12-6-4-8-19-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3.
What are the key properties of ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 110690641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).