methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate

C12H14N2O6 — CID 115280144

IUPACmethyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H14N2O6/c1-19-12(16)8-4-2-3-7-13(8)11(15)9-5-6-10(20-9)14(17)18/h5-6,8H,2-4,7H2,1H3
InChIKeyUOJRDUUDNPQPPA-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.36
Rot. Bonds3

About methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate

methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate (PubChem CID 115280144) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate
PubChem CID115280144
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Namemethyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H14N2O6/c1-19-12(16)8-4-2-3-7-13(8)11(15)9-5-6-10(20-9)14(17)18/h5-6,8H,2-4,7H2,1H3
InChIKeyUOJRDUUDNPQPPA-UHFFFAOYSA-N
XLogP1.36
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
methyl (2S)-1-(4-nitrobenzoyl)piperidine-2-carboxylate
CID 2712348
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
methyl (2S)-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate
CID 161119246
methyl 1-(3-methyl-2-nitrobenzoyl)pyrrolidine-2-carboxylate
CID 43409915
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate (CID 115280144) is methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is UOJRDUUDNPQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-19-12(16)8-4-2-3-7-13(8)11(15)9-5-6-10(20-9)14(17)18/h5-6,8H,2-4,7H2,1H3.
What are the key properties of methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate?
methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 282.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).