5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide

C18H19N3O5 — CID 49358828

IUPAC5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1
InChIInChI=1S/C18H19N3O5/c1-12-6-7-16(26-12)17(22)19-13-8-10-20(11-9-13)18(23)14-4-2-3-5-15(14)21(24)25/h2-7,13H,8-11H2,1H3,(H,19,22)
InChIKeyITOUBRPEURKOSK-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.53
Rot. Bonds4

About 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide

5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 49358828) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID49358828
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1
InChIInChI=1S/C18H19N3O5/c1-12-6-7-16(26-12)17(22)19-13-8-10-20(11-9-13)18(23)14-4-2-3-5-15(14)21(24)25/h2-7,13H,8-11H2,1H3,(H,19,22)
InChIKeyITOUBRPEURKOSK-UHFFFAOYSA-N
XLogP2.53
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.53
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

5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 49460379
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49358466
3-fluoro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-5-nitrobenzamide
CID 55838280
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
(4-methylsulfonylpiperidin-1-yl)-(2-nitrophenyl)methanone
CID 90585114
5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358563
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49411897
5-methyl-N-[1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 49358427
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878
(4-hydroxy-3-methylpiperidin-1-yl)-(2-nitrophenyl)methanone
CID 114680135
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide (CID 49358828) is 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1.
What is the InChIKey of 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is ITOUBRPEURKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12-6-7-16(26-12)17(22)19-13-8-10-20(11-9-13)18(23)14-4-2-3-5-15(14)21(24)25/h2-7,13H,8-11H2,1H3,(H,19,22).
What are the key properties of 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide?
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 49358828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).