methyl 4-(furan-2-yl)piperidine-2-carboxylate

C11H15NO3 — CID 117258292

IUPACmethyl 4-(furan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CC(c2ccco2)CCN1
InChIInChI=1S/C11H15NO3/c1-14-11(13)9-7-8(4-5-12-9)10-3-2-6-15-10/h2-3,6,8-9,12H,4-5,7H2,1H3
InChIKeyKNGNOVMXVZABRK-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.29
Rot. Bonds2

About methyl 4-(furan-2-yl)piperidine-2-carboxylate

methyl 4-(furan-2-yl)piperidine-2-carboxylate (PubChem CID 117258292) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 4-(furan-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-2-yl)piperidine-2-carboxylate
PubChem CID117258292
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-(furan-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CC(c2ccco2)CCN1
InChIInChI=1S/C11H15NO3/c1-14-11(13)9-7-8(4-5-12-9)10-3-2-6-15-10/h2-3,6,8-9,12H,4-5,7H2,1H3
InChIKeyKNGNOVMXVZABRK-UHFFFAOYSA-N
XLogP1.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)piperidine-2-carboxamide
CID 65347712
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
CID 96530313
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
(2S,4S)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 54235723
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400
methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate
CID 117270124
(2S,4R)-4-(furan-2-yl)-2-prop-2-enylpiperidine
CID 101201496
methyl 4-cyclobutylpiperidine-2-carboxylate
CID 117258404
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149

Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 4-(furan-2-yl)piperidine-2-carboxylate (CID 117258292) is methyl 4-(furan-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 4-(furan-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 4-(furan-2-yl)piperidine-2-carboxylate is COC(=O)C1CC(c2ccco2)CCN1.
What is the InChIKey of methyl 4-(furan-2-yl)piperidine-2-carboxylate?
The InChIKey is KNGNOVMXVZABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-11(13)9-7-8(4-5-12-9)10-3-2-6-15-10/h2-3,6,8-9,12H,4-5,7H2,1H3.
What are the key properties of methyl 4-(furan-2-yl)piperidine-2-carboxylate?
methyl 4-(furan-2-yl)piperidine-2-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 117258292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).