N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide

C28H31N3O4 — CID 37178939

IUPACN-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C28H31N3O4/c1-20-6-5-7-24(18-20)35-23-12-10-22(11-13-23)29-27(32)19-31-16-14-21(15-17-31)28(33)30-25-8-3-4-9-26(25)34-2/h3-13,18,21H,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyLVPYYLQMTBGNNE-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.09
Rot. Bonds8

About N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 37178939) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID37178939
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C28H31N3O4/c1-20-6-5-7-24(18-20)35-23-12-10-22(11-13-23)29-27(32)19-31-16-14-21(15-17-31)28(33)30-25-8-3-4-9-26(25)34-2/h3-13,18,21H,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyLVPYYLQMTBGNNE-UHFFFAOYSA-N
XLogP5.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
2-[1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 166267199
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077
N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 37177131
N-(5-chloro-2-methoxyphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909398

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide (CID 37178939) is N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LVPYYLQMTBGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20-6-5-7-24(18-20)35-23-12-10-22(11-13-23)29-27(32)19-31-16-14-21(15-17-31)28(33)30-25-8-3-4-9-26(25)34-2/h3-13,18,21H,14-17,19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 37178939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).