N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide

C23H28N2O3 — CID 108549110

IUPACN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-4-7-19(8-5-16)23(27)24-20-10-12-25(13-11-20)22(26)15-28-21-9-6-17(2)18(3)14-21/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyRWYDZVIJRJSRDR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.41
Rot. Bonds5

About N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide (PubChem CID 108549110) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
PubChem CID108549110
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-4-7-19(8-5-16)23(27)24-20-10-12-25(13-11-20)22(26)15-28-21-9-6-17(2)18(3)14-21/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyRWYDZVIJRJSRDR-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide (CID 108549110) is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The InChIKey is RWYDZVIJRJSRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-4-7-19(8-5-16)23(27)24-20-10-12-25(13-11-20)22(26)15-28-21-9-6-17(2)18(3)14-21/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 108549110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).