4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

C23H28N4O4 — CID 9438322

IUPAC4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-26(16-21(28)24-19-8-10-20(31-2)11-9-19)22(29)17-12-14-27(15-13-17)23(30)25-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyMGXIWILSZPVHTG-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.04
Rot. Bonds6

About 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 9438322) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID9438322
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-26(16-21(28)24-19-8-10-20(31-2)11-9-19)22(29)17-12-14-27(15-13-17)23(30)25-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyMGXIWILSZPVHTG-UHFFFAOYSA-N
XLogP3.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18112338
4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25163200
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306
N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
CID 46634722
2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899069
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 38008538
4-N-methyl-1-N-phenyl-4-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 9361588
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
(2R)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 9438617
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 134047330

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 9438322) is 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is COc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is MGXIWILSZPVHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-26(16-21(28)24-19-8-10-20(31-2)11-9-19)22(29)17-12-14-27(15-13-17)23(30)25-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 9438322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).