ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate

C16H23NO5 — CID 51072756

IUPACethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C16H23NO5/c1-3-20-15(18)12-5-8-17(9-6-12)11-14-13(7-10-22-14)16(19)21-4-2/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeySWPOTZUXIMXKFZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.23
Rot. Bonds6

About ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 51072756) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
PubChem CID51072756
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nameethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C16H23NO5/c1-3-20-15(18)12-5-8-17(9-6-12)11-14-13(7-10-22-14)16(19)21-4-2/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeySWPOTZUXIMXKFZ-UHFFFAOYSA-N
XLogP2.23
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
ethyl 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]furan-3-carboxylate
CID 116637436
ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
CID 18083540
ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 62737323
methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 18150309
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
CID 50896519
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate
CID 103352925
ethyl 2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 80506842
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate (CID 51072756) is ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)c1ccoc1CN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is SWPOTZUXIMXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-3-20-15(18)12-5-8-17(9-6-12)11-14-13(7-10-22-14)16(19)21-4-2/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 309.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 51072756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).