(4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone

C11H14N2O4 — CID 676059

IUPAC(4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
SMILESCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C11H14N2O4/c1-8-4-6-12(7-5-8)11(14)9-2-3-10(17-9)13(15)16/h2-3,8H,4-7H2,1H3
InChIKeyYDTIAOOOKXQRIW-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.06
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone

(4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone (PubChem CID 676059) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
PubChem CID676059
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
SMILESCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C11H14N2O4/c1-8-4-6-12(7-5-8)11(14)9-2-3-10(17-9)13(15)16/h2-3,8H,4-7H2,1H3
InChIKeyYDTIAOOOKXQRIW-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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'}

Analyze (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone (CID 676059) is (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone is CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone?
The InChIKey is YDTIAOOOKXQRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8-4-6-12(7-5-8)11(14)9-2-3-10(17-9)13(15)16/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone?
(4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone has a molecular weight of 238.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 676059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).