N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C26H24FN3O6 — CID 16960012

IUPACN-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H24FN3O6/c1-35-18-10-8-17(9-11-18)29-24(31)14-12-20(25(29)19-5-3-4-6-23(19)36-2)26(32)28-16-7-13-21(27)22(15-16)30(33)34/h3-11,13,15,20,25H,12,14H2,1-2H3,(H,28,32)
InChIKeySFAAUVXFFBHAKV-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.87
Rot. Bonds7

About N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 16960012) has the molecular formula C26H24FN3O6 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID16960012
Molecular FormulaC26H24FN3O6
Molecular Weight493.49 g/mol
Exact Mass493.16
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H24FN3O6/c1-35-18-10-8-17(9-11-18)29-24(31)14-12-20(25(29)19-5-3-4-6-23(19)36-2)26(32)28-16-7-13-21(27)22(15-16)30(33)34/h3-11,13,15,20,25H,12,14H2,1-2H3,(H,28,32)
InChIKeySFAAUVXFFBHAKV-UHFFFAOYSA-N
XLogP4.87
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55363325
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 40863511
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 16548280
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide
CID 43056144
(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 92654016
(2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 25472876
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 16960012) is N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2c2ccccc2OC)cc1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SFAAUVXFFBHAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O6/c1-35-18-10-8-17(9-11-18)29-24(31)14-12-20(25(29)19-5-3-4-6-23(19)36-2)26(32)28-16-7-13-21(27)22(15-16)30(33)34/h3-11,13,15,20,25H,12,14H2,1-2H3,(H,28,32).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 16960012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).