N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C24H23N3O5S — CID 55363435

IUPACN-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1cccs1
InChIInChI=1S/C24H23N3O5S/c1-15-5-7-16(8-6-15)26-22(28)12-10-18(23(26)21-4-3-13-33-21)24(29)25-19-14-17(27(30)31)9-11-20(19)32-2/h3-9,11,13-14,18,23H,10,12H2,1-2H3,(H,25,29)
InChIKeyLZABILXCIFJYCL-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.10
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 55363435) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID55363435
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1cccs1
InChIInChI=1S/C24H23N3O5S/c1-15-5-7-16(8-6-15)26-22(28)12-10-18(23(26)21-4-3-13-33-21)24(29)25-19-14-17(27(30)31)9-11-20(19)32-2/h3-9,11,13-14,18,23H,10,12H2,1-2H3,(H,25,29)
InChIKeyLZABILXCIFJYCL-UHFFFAOYSA-N
XLogP5.10
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.10
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

(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55363325
N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86874286
(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 40986702
1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 16549005
N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112789008
(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500032
(2R,3R)-N-[(2S)-1-methoxypropan-2-yl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 52892748
N-[4-(cyanomethyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 60601232
1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 119450128
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 46517441
(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
CID 16959488

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 55363435) is N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1cccs1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is LZABILXCIFJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-15-5-7-16(8-6-15)26-22(28)12-10-18(23(26)21-4-3-13-33-21)24(29)25-19-14-17(27(30)31)9-11-20(19)32-2/h3-9,11,13-14,18,23H,10,12H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55363435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).