N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride

C17H19ClN3O4- — CID 53352982

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride
SMILESCC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1.[Cl-]
InChIInChI=1S/C17H19N3O4.ClH/c1-12-8-10-19(11-9-12)14-4-2-13(3-5-14)18-17(21)15-6-7-16(24-15)20(22)23;/h2-7,12H,8-11H2,1H3,(H,18,21);1H/p-1
InChIKeyRYQYCGTZCULATE-UHFFFAOYSA-M
MW364.81 g/mol
LogP0.68
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride

N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride (PubChem CID 53352982) has the molecular formula C17H19ClN3O4- and a molecular weight of 364.81 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride
PubChem CID53352982
Molecular FormulaC17H19ClN3O4-
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride
SMILESCC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1.[Cl-]
InChIInChI=1S/C17H19N3O4.ClH/c1-12-8-10-19(11-9-12)14-4-2-13(3-5-14)18-17(21)15-6-7-16(24-15)20(22)23;/h2-7,12H,8-11H2,1H3,(H,18,21);1H/p-1
InChIKeyRYQYCGTZCULATE-UHFFFAOYSA-M
XLogP0.68
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 56556263
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-[4-(4-tert-butylpiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide;N-[4-(4-fluoropiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide;methane
CID 158593313
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-5-nitrofuran-2-carboxamide
CID 94084965
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide
CID 141451666
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 56559110
N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 155681473
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride (CID 53352982) is N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride is CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1.[Cl-].
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride?
The InChIKey is RYQYCGTZCULATE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19N3O4.ClH/c1-12-8-10-19(11-9-12)14-4-2-13(3-5-14)18-17(21)15-6-7-16(24-15)20(22)23;/h2-7,12H,8-11H2,1H3,(H,18,21);1H/p-1.
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride?
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride has a molecular weight of 364.81 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride is sourced from PubChem (CID 53352982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).