N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide

C18H17F2N3O3 — CID 17026707

IUPACN-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H17F2N3O3/c19-13-1-6-16(20)17(11-13)21-18(24)12-7-9-22(10-8-12)14-2-4-15(5-3-14)23(25)26/h1-6,11-12H,7-10H2,(H,21,24)
InChIKeyXWPDFJBJWQCLEM-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.73
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17026707) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
PubChem CID17026707
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H17F2N3O3/c19-13-1-6-16(20)17(11-13)21-18(24)12-7-9-22(10-8-12)14-2-4-15(5-3-14)23(25)26/h1-6,11-12H,7-10H2,(H,21,24)
InChIKeyXWPDFJBJWQCLEM-UHFFFAOYSA-N
XLogP3.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
N-(2,5-difluorophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26681545
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26360859
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide (CID 17026707) is N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1cc(F)ccc1F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is XWPDFJBJWQCLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-13-1-6-16(20)17(11-13)21-18(24)12-7-9-22(10-8-12)14-2-4-15(5-3-14)23(25)26/h1-6,11-12H,7-10H2,(H,21,24).
What are the key properties of N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17026707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).