ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate

C15H21NO5 — CID 81339448

IUPACethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2ccoc2C(=O)OC)C1
InChIInChI=1S/C15H21NO5/c1-3-20-14(17)12-5-4-7-16(10-12)9-11-6-8-21-13(11)15(18)19-2/h6,8,12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyJTGWOQOMYKPXHC-GFCCVEGCSA-N
MW295.33 g/mol
LogP1.84
Rot. Bonds5

About ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate

ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate (PubChem CID 81339448) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
PubChem CID81339448
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nameethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2ccoc2C(=O)OC)C1
InChIInChI=1S/C15H21NO5/c1-3-20-14(17)12-5-4-7-16(10-12)9-11-6-8-21-13(11)15(18)19-2/h6,8,12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyJTGWOQOMYKPXHC-GFCCVEGCSA-N
XLogP1.84
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
ethyl 1-[[2-(cyanomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 82135557
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl (3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 104794493
ethyl 1-[(4-cyano-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 114480965

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate (CID 81339448) is ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(Cc2ccoc2C(=O)OC)C1.
What is the InChIKey of ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate?
The InChIKey is JTGWOQOMYKPXHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-20-14(17)12-5-4-7-16(10-12)9-11-6-8-21-13(11)15(18)19-2/h6,8,12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 81339448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).