ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

C18H29NO4 — CID 45208197

IUPACethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOC)CCCN(Cc2cc(C)c(C)o2)C1
InChIInChI=1S/C18H29NO4/c1-5-22-17(20)18(8-10-21-4)7-6-9-19(13-18)12-16-11-14(2)15(3)23-16/h11H,5-10,12-13H2,1-4H3
InChIKeyNRSBUKFVKPRGGZ-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.08
Rot. Bonds7

About ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate (PubChem CID 45208197) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
PubChem CID45208197
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Nameethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOC)CCCN(Cc2cc(C)c(C)o2)C1
InChIInChI=1S/C18H29NO4/c1-5-22-17(20)18(8-10-21-4)7-6-9-19(13-18)12-16-11-14(2)15(3)23-16/h11H,5-10,12-13H2,1-4H3
InChIKeyNRSBUKFVKPRGGZ-UHFFFAOYSA-N
XLogP3.08
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate
CID 42520187
ethyl 1-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45183792
ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 26329692
ethyl 1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45212947
3-(2-methoxyethyl)-1-[(5-propylfuran-2-yl)methyl]piperidine-3-carboxylic acid
CID 72934146
ethyl (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 42343526
ethyl (3S)-3-(2-methoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 29022675
ethyl (3S)-3-(2-methoxyethyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 42197367
ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 42392106
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate (CID 45208197) is ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate is CCOC(=O)C1(CCOC)CCCN(Cc2cc(C)c(C)o2)C1.
What is the InChIKey of ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
The InChIKey is NRSBUKFVKPRGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-22-17(20)18(8-10-21-4)7-6-9-19(13-18)12-16-11-14(2)15(3)23-16/h11H,5-10,12-13H2,1-4H3.
What are the key properties of ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate has a molecular weight of 323.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 45208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).