N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

C22H28N2O2 — CID 1188926

IUPACN-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-7-8-17(2)22(18(16)3)26-15-21(25)23-19-9-11-20(12-10-19)24-13-5-4-6-14-24/h7-12H,4-6,13-15H2,1-3H3,(H,23,25)
InChIKeyDYFPDBKDKVADAO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.62
Rot. Bonds5

About N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 1188926) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID1188926
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C
InChIInChI=1S/C22H28N2O2/c1-16-7-8-17(2)22(18(16)3)26-15-21(25)23-19-9-11-20(12-10-19)24-13-5-4-6-14-24/h7-12H,4-6,13-15H2,1-3H3,(H,23,25)
InChIKeyDYFPDBKDKVADAO-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 19175451
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 4823857
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 55573308
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide (CID 1188926) is N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is DYFPDBKDKVADAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-7-8-17(2)22(18(16)3)26-15-21(25)23-19-9-11-20(12-10-19)24-13-5-4-6-14-24/h7-12H,4-6,13-15H2,1-3H3,(H,23,25).
What are the key properties of N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 1188926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).