[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride

C11H16ClN3O4 — CID 119489082

IUPAC[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1.Cl
InChIInChI=1S/C11H15N3O4.ClH/c1-12-8-3-2-6-13(7-8)11(15)9-4-5-10(18-9)14(16)17;/h4-5,8,12H,2-3,6-7H2,1H3;1H
InChIKeyFCMCWMVGLUEFNV-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.43
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride (PubChem CID 119489082) has the molecular formula C11H16ClN3O4 and a molecular weight of 289.72 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
PubChem CID119489082
Molecular FormulaC11H16ClN3O4
Molecular Weight289.72 g/mol
Exact Mass289.08
IUPAC Name[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1.Cl
InChIInChI=1S/C11H15N3O4.ClH/c1-12-8-3-2-6-13(7-8)11(15)9-4-5-10(18-9)14(16)17;/h4-5,8,12H,2-3,6-7H2,1H3;1H
InChIKeyFCMCWMVGLUEFNV-UHFFFAOYSA-N
XLogP1.43
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
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

[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
[3-(methylamino)piperidin-1-yl]-(5-nitro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119487885
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 122259402
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 81485588
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 34738091
[4-methyl-4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 115304279
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride (CID 119489082) is [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
The InChIKey is FCMCWMVGLUEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4.ClH/c1-12-8-3-2-6-13(7-8)11(15)9-4-5-10(18-9)14(16)17;/h4-5,8,12H,2-3,6-7H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119489082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).