1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide

C17H17N3O5 — CID 35706548

IUPAC1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H17N3O5/c21-16(18-14-1-3-15(4-2-14)20(23)24)12-5-8-19(9-6-12)17(22)13-7-10-25-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,18,21)
InChIKeyUOOJXKDWUAGSTL-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.68
Rot. Bonds4

About 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide (PubChem CID 35706548) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
PubChem CID35706548
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H17N3O5/c21-16(18-14-1-3-15(4-2-14)20(23)24)12-5-8-19(9-6-12)17(22)13-7-10-25-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,18,21)
InChIKeyUOOJXKDWUAGSTL-UHFFFAOYSA-N
XLogP2.68
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.68
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

1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048458
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
CID 86872747
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 30804053

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide (CID 35706548) is 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is UOOJXKDWUAGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-16(18-14-1-3-15(4-2-14)20(23)24)12-5-8-19(9-6-12)17(22)13-7-10-25-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,18,21).
What are the key properties of 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 35706548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).