N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C26H24FN3O6 — CID 55363325

IUPACN-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3F)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H24FN3O6/c1-35-18-10-7-16(8-11-18)29-24(31)14-12-20(25(29)19-5-3-4-6-23(19)36-2)26(32)28-22-15-17(30(33)34)9-13-21(22)27/h3-11,13,15,20,25H,12,14H2,1-2H3,(H,28,32)
InChIKeyCFMQJDVMMBFDLT-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.87
Rot. Bonds7

About N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 55363325) has the molecular formula C26H24FN3O6 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID55363325
Molecular FormulaC26H24FN3O6
Molecular Weight493.49 g/mol
Exact Mass493.16
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3F)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H24FN3O6/c1-35-18-10-7-16(8-11-18)29-24(31)14-12-20(25(29)19-5-3-4-6-23(19)36-2)26(32)28-22-15-17(30(33)34)9-13-21(22)27/h3-11,13,15,20,25H,12,14H2,1-2H3,(H,28,32)
InChIKeyCFMQJDVMMBFDLT-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-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 16960012
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087
(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
CID 16959488
(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 31455747
(3R)-N-(2-fluoro-5-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40741507
(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 55363325) is N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3F)C2c2ccccc2OC)cc1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CFMQJDVMMBFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O6/c1-35-18-10-7-16(8-11-18)29-24(31)14-12-20(25(29)19-5-3-4-6-23(19)36-2)26(32)28-22-15-17(30(33)34)9-13-21(22)27/h3-11,13,15,20,25H,12,14H2,1-2H3,(H,28,32).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
N-(2-fluoro-5-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-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 55363325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).