furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone

C17H19N3O5 — CID 71998100

IUPACfuran-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3ccoc3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5/c1-24-16-10-14(2-3-15(16)20(22)23)18-13-4-7-19(8-5-13)17(21)12-6-9-25-11-12/h2-3,6,9-11,13,18H,4-5,7-8H2,1H3
InChIKeyLJVIDOBGDHQCJZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.91
Rot. Bonds5

About furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone

furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone (PubChem CID 71998100) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone
PubChem CID71998100
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namefuran-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3ccoc3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5/c1-24-16-10-14(2-3-15(16)20(22)23)18-13-4-7-19(8-5-13)17(21)12-6-9-25-11-12/h2-3,6,9-11,13,18H,4-5,7-8H2,1H3
InChIKeyLJVIDOBGDHQCJZ-UHFFFAOYSA-N
XLogP2.91
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
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

4-N-(3-methoxy-4-nitrophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 79111166
[4-(4-fluoro-2-nitroanilino)piperidin-1-yl]-(furan-3-yl)methanone
CID 31660157
N-(3-methoxy-4-nitrophenyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 133319923
2-(fluoromethyl)-4-[[4-[2-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile
CID 70804157
(4-aminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119374691
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
3-[4-(4-chlorophenyl)piperidin-1-yl]-1-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]propan-1-one
CID 58577234
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 104784729
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 32528473
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048458
3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]propan-1-one
CID 58576248

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone (CID 71998100) is furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone is COc1cc(NC2CCN(C(=O)c3ccoc3)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone?
The InChIKey is LJVIDOBGDHQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-24-16-10-14(2-3-15(16)20(22)23)18-13-4-7-19(8-5-13)17(21)12-6-9-25-11-12/h2-3,6,9-11,13,18H,4-5,7-8H2,1H3.
What are the key properties of furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone?
furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone has a molecular weight of 345.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 71998100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).