N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride

C11H16ClN3O4 — CID 120600819

IUPACN-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc([N+](=O)[O-])o2)CCN1.Cl
InChIInChI=1S/C11H15N3O4.ClH/c1-7-6-8(4-5-12-7)13-11(15)9-2-3-10(18-9)14(16)17;/h2-3,7-8,12H,4-6H2,1H3,(H,13,15);1H
InChIKeyWUHOJITXGLMRAS-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.48
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride (PubChem CID 120600819) has the molecular formula C11H16ClN3O4 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
PubChem CID120600819
Molecular FormulaC11H16ClN3O4
Molecular Weight289.72 g/mol
Exact Mass289.08
IUPAC NameN-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc([N+](=O)[O-])o2)CCN1.Cl
InChIInChI=1S/C11H15N3O4.ClH/c1-7-6-8(4-5-12-7)13-11(15)9-2-3-10(18-9)14(16)17;/h2-3,7-8,12H,4-6H2,1H3,(H,13,15);1H
InChIKeyWUHOJITXGLMRAS-UHFFFAOYSA-N
XLogP1.48
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
1-methyl-N-(2-methylpiperidin-4-yl)-5-nitropyrrole-2-carboxamide;hydrochloride
CID 120600064
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 120601646
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
CID 120601078
N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
CID 3011950
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120600342
N-[(1S)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 2404747

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride (CID 120600819) is N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2ccc([N+](=O)[O-])o2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The InChIKey is WUHOJITXGLMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4.ClH/c1-7-6-8(4-5-12-7)13-11(15)9-2-3-10(18-9)14(16)17;/h2-3,7-8,12H,4-6H2,1H3,(H,13,15);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120600819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).