3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

C22H27N3O3 — CID 655920

IUPAC3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(C(=O)Nc2cccc(C)c2C)C1
InChIInChI=1S/C22H27N3O3/c1-15-8-6-11-18(16(15)2)23-21(26)17-9-7-13-25(14-17)22(27)24-19-10-4-5-12-20(19)28-3/h4-6,8,10-12,17H,7,9,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLMAQDESVPXCBAL-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.19
Rot. Bonds4

About 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 655920) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID655920
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(C(=O)Nc2cccc(C)c2C)C1
InChIInChI=1S/C22H27N3O3/c1-15-8-6-11-18(16(15)2)23-21(26)17-9-7-13-25(14-17)22(27)24-19-10-4-5-12-20(19)28-3/h4-6,8,10-12,17H,7,9,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLMAQDESVPXCBAL-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 655920) is 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1ccccc1NC(=O)N1CCCC(C(=O)Nc2cccc(C)c2C)C1.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is LMAQDESVPXCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-8-6-11-18(16(15)2)23-21(26)17-9-7-13-25(14-17)22(27)24-19-10-4-5-12-20(19)28-3/h4-6,8,10-12,17H,7,9,13-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylphenyl)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 655920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).