ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate

C16H23NO4 — CID 70780559

IUPACethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H23NO4/c1-4-20-15(18)10-13-7-5-6-8-17(13)16(19)14-9-11(2)21-12(14)3/h9,13H,4-8,10H2,1-3H3
InChIKeyIBZKOTXEZSILGM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds4

About ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate

ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate (PubChem CID 70780559) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
PubChem CID70780559
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H23NO4/c1-4-20-15(18)10-13-7-5-6-8-17(13)16(19)14-9-11(2)21-12(14)3/h9,13H,4-8,10H2,1-3H3
InChIKeyIBZKOTXEZSILGM-UHFFFAOYSA-N
XLogP2.84
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63765567
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 56908194
ethyl 2-[1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-2-yl]acetate
CID 70733882
ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 70762897
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 90585567
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 42779984
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate (CID 70780559) is ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1cc(C)oc1C.
What is the InChIKey of ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate?
The InChIKey is IBZKOTXEZSILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-15(18)10-13-7-5-6-8-17(13)16(19)14-9-11(2)21-12(14)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate?
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 70780559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).