3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide

C26H34N4O3 — CID 60543866

IUPAC3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C26H34N4O3/c1-4-14-29(18-24(31)28-23-13-6-5-10-20(23)3)25(32)21-11-8-15-30(17-21)26(33)27-22-12-7-9-19(2)16-22/h5-7,9-10,12-13,16,21H,4,8,11,14-15,17-18H2,1-3H3,(H,27,33)(H,28,31)
InChIKeyIGDIKZQQVVKTJV-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.42
Rot. Bonds7

About 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide

3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide (PubChem CID 60543866) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
PubChem CID60543866
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C26H34N4O3/c1-4-14-29(18-24(31)28-23-13-6-5-10-20(23)3)25(32)21-11-8-15-30(17-21)26(33)27-22-12-7-9-19(2)16-22/h5-7,9-10,12-13,16,21H,4,8,11,14-15,17-18H2,1-3H3,(H,27,33)(H,28,31)
InChIKeyIGDIKZQQVVKTJV-UHFFFAOYSA-N
XLogP4.42
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
4-[4-[[2-[cyclopropanecarbonyl(propyl)amino]acetyl]amino]phenyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 42676579
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 31976227
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide (CID 60543866) is 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
The InChIKey is IGDIKZQQVVKTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-4-14-29(18-24(31)28-23-13-6-5-10-20(23)3)25(32)21-11-8-15-30(17-21)26(33)27-22-12-7-9-19(2)16-22/h5-7,9-10,12-13,16,21H,4,8,11,14-15,17-18H2,1-3H3,(H,27,33)(H,28,31).
What are the key properties of 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide?
3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methylanilino)-2-oxoethyl]-1-N-(3-methylphenyl)-3-N-propylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60543866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).