1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

C18H16F3N3O3 — CID 26358381

IUPAC1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H16F3N3O3/c19-12-5-6-13(17(21)16(12)20)22-18(25)11-7-9-23(10-8-11)14-3-1-2-4-15(14)24(26)27/h1-6,11H,7-10H2,(H,22,25)
InChIKeyWHFBEKNCOXCQGJ-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide (PubChem CID 26358381) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
PubChem CID26358381
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H16F3N3O3/c19-12-5-6-13(17(21)16(12)20)22-18(25)11-7-9-23(10-8-11)14-3-1-2-4-15(14)24(26)27/h1-6,11H,7-10H2,(H,22,25)
InChIKeyWHFBEKNCOXCQGJ-UHFFFAOYSA-N
XLogP3.87
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
CID 55367657
methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate
CID 9160892
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17152713
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide (CID 26358381) is 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The InChIKey is WHFBEKNCOXCQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-12-5-6-13(17(21)16(12)20)22-18(25)11-7-9-23(10-8-11)14-3-1-2-4-15(14)24(26)27/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26358381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).