N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide

C18H19N3O5 — CID 90521763

IUPACN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
SMILESO=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c22-17(14-1-3-16(4-2-14)21(24)25)19-11-13-5-8-20(9-6-13)18(23)15-7-10-26-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,22)
InChIKeyVIVUVSZEZHYGMD-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.47
Rot. Bonds5

About N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide (PubChem CID 90521763) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
PubChem CID90521763
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
SMILESO=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c22-17(14-1-3-16(4-2-14)21(24)25)19-11-13-5-8-20(9-6-13)18(23)15-7-10-26-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,22)
InChIKeyVIVUVSZEZHYGMD-UHFFFAOYSA-N
XLogP2.47
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.47
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-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(2-methyl-4-nitrophenyl)oxamide
CID 90521979
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-[(4-chlorocyclohexyl)methyl]-4-nitrobenzamide
CID 106133527
N-[[1-(4-nitrobenzoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 3126779
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
4-nitro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 121109069
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
The IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide (CID 90521763) is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide.
What is the SMILES notation for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
The canonical SMILES for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide is O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
The InChIKey is VIVUVSZEZHYGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-17(14-1-3-16(4-2-14)21(24)25)19-11-13-5-8-20(9-6-13)18(23)15-7-10-26-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,22).
What are the key properties of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 90521763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).