[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone

C11H14N2O4 — CID 755150

IUPAC[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N2O4/c1-8-4-2-3-7-12(8)11(14)9-5-6-10(17-9)13(15)16/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyLFEHWENPAZXMSC-MRVPVSSYSA-N
MW238.24 g/mol
LogP2.20
Rot. Bonds2

About [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone

[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone (PubChem CID 755150) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
PubChem CID755150
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N2O4/c1-8-4-2-3-7-12(8)11(14)9-5-6-10(17-9)13(15)16/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyLFEHWENPAZXMSC-MRVPVSSYSA-N
XLogP2.20
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
methyl 1-(5-nitrofuran-2-carbonyl)piperidine-2-carboxylate
CID 115280144
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
(3S,6R)-6-methyl-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxamide
CID 94200834
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
[5-(furan-2-yl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 71690133
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 18106367
(5-nitrofuran-2-yl)-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 51307936
[3-(2-methylpiperidine-1-carbonyl)-5-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 5008991
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The IUPAC name of [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone (CID 755150) is [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone is C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
The InChIKey is LFEHWENPAZXMSC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8-4-2-3-7-12(8)11(14)9-5-6-10(17-9)13(15)16/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone?
[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone has a molecular weight of 238.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 755150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).