1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide

C26H27N3O3 — CID 56684470

IUPAC1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3Oc3ccccc3)C2)c1
InChIInChI=1S/C26H27N3O3/c1-19-9-7-11-21(17-19)27-26(31)29-16-8-10-20(18-29)25(30)28-23-14-5-6-15-24(23)32-22-12-3-2-4-13-22/h2-7,9,11-15,17,20H,8,10,16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyAENVFYZWHNNPEJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.67
Rot. Bonds5

About 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 56684470) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID56684470
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3Oc3ccccc3)C2)c1
InChIInChI=1S/C26H27N3O3/c1-19-9-7-11-21(17-19)27-26(31)29-16-8-10-20(18-29)25(30)28-23-14-5-6-15-24(23)32-22-12-3-2-4-13-22/h2-7,9,11-15,17,20H,8,10,16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyAENVFYZWHNNPEJ-UHFFFAOYSA-N
XLogP5.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 97007159
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide (CID 56684470) is 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3Oc3ccccc3)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is AENVFYZWHNNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-9-7-11-21(17-19)27-26(31)29-16-8-10-20(18-29)25(30)28-23-14-5-6-15-24(23)32-22-12-3-2-4-13-22/h2-7,9,11-15,17,20H,8,10,16,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide?
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 56684470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).