N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C18H18IN3O3 — CID 17494985

IUPACN-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H18IN3O3/c19-14-5-7-15(8-6-14)20-18(23)13-9-11-21(12-10-13)16-3-1-2-4-17(16)22(24)25/h1-8,13H,9-12H2,(H,20,23)
InChIKeyXJUJVANCJIZRMP-UHFFFAOYSA-N
MW451.26 g/mol
LogP4.05
Rot. Bonds4

About N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17494985) has the molecular formula C18H18IN3O3 and a molecular weight of 451.26 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID17494985
Molecular FormulaC18H18IN3O3
Molecular Weight451.26 g/mol
Exact Mass451.04
IUPAC NameN-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H18IN3O3/c19-14-5-7-15(8-6-14)20-18(23)13-9-11-21(12-10-13)16-3-1-2-4-17(16)22(24)25/h1-8,13H,9-12H2,(H,20,23)
InChIKeyXJUJVANCJIZRMP-UHFFFAOYSA-N
XLogP4.05
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-(1,3-benzodioxol-5-yl)-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 41283279
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
CID 55367657
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 46668940

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 17494985) is N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(I)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is XJUJVANCJIZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18IN3O3/c19-14-5-7-15(8-6-14)20-18(23)13-9-11-21(12-10-13)16-3-1-2-4-17(16)22(24)25/h1-8,13H,9-12H2,(H,20,23).
What are the key properties of N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 451.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17494985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).