3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C22H26N4O3 — CID 55817615

IUPAC3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c1
InChIInChI=1S/C22H26N4O3/c1-15-6-3-8-18(12-15)25-22(29)26-11-5-7-17(14-26)21(28)24-20-10-4-9-19(13-20)23-16(2)27/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeySYQZFMJXUAHZTC-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.84
Rot. Bonds4

About 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55817615) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55817615
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c1
InChIInChI=1S/C22H26N4O3/c1-15-6-3-8-18(12-15)25-22(29)26-11-5-7-17(14-26)21(28)24-20-10-4-9-19(13-20)23-16(2)27/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeySYQZFMJXUAHZTC-UHFFFAOYSA-N
XLogP3.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55817615) is 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c1.
What is the InChIKey of 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is SYQZFMJXUAHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-6-3-8-18(12-15)25-22(29)26-11-5-7-17(14-26)21(28)24-20-10-4-9-19(13-20)23-16(2)27/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55817615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).