4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

C24H30N4O3 — CID 9479482

IUPAC4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-17-9-10-18(2)21(15-17)26-22(29)16-27(3)23(30)19-11-13-28(14-12-19)24(31)25-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,31)(H,26,29)
InChIKeyXQAUVIOYIRBRFY-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.64
Rot. Bonds5

About 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 9479482) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID9479482
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-17-9-10-18(2)21(15-17)26-22(29)16-27(3)23(30)19-11-13-28(14-12-19)24(31)25-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,31)(H,26,29)
InChIKeyXQAUVIOYIRBRFY-UHFFFAOYSA-N
XLogP3.64
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
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GW791343
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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
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1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
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N-(2,5-dimethylphenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430388
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 70419
N-(2-methylphenyl)-N'-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 2222200
N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 3157325
4-(Phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamide
CID 70668
1,1-Dibenzyl-3-(2,5-xylyl)urea
CID 311086
1-(1-Propionylpiperidin-4-yl)-3-o-tolylurea
CID 49782797

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 9479482) is 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is XQAUVIOYIRBRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-9-10-18(2)21(15-17)26-22(29)16-27(3)23(30)19-11-13-28(14-12-19)24(31)25-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,31)(H,26,29).
What are the key properties of 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 9479482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).