N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide

C23H28N2O3 — CID 113006540

IUPACN-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-7-9-20(10-8-16)28-15-21(26)25-13-11-19(12-14-25)23(27)24-22-17(2)5-4-6-18(22)3/h4-10,19H,11-15H2,1-3H3,(H,24,27)
InChIKeyAGTOHILTMYXGJT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.87
Rot. Bonds5

About N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide

N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 113006540) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID113006540
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-7-9-20(10-8-16)28-15-21(26)25-13-11-19(12-14-25)23(27)24-22-17(2)5-4-6-18(22)3/h4-10,19H,11-15H2,1-3H3,(H,24,27)
InChIKeyAGTOHILTMYXGJT-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide (CID 113006540) is N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide is Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is AGTOHILTMYXGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-7-9-20(10-8-16)28-15-21(26)25-13-11-19(12-14-25)23(27)24-22-17(2)5-4-6-18(22)3/h4-10,19H,11-15H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide?
N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113006540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).