2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C22H29N3O2 — CID 644999

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-16-13-17(2)22(18(3)14-16)23-21(26)15-24-9-11-25(12-10-24)19-5-7-20(27-4)8-6-19/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyCMDWCWZHQPOXPL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 644999) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID644999
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-16-13-17(2)22(18(3)14-16)23-21(26)15-24-9-11-25(12-10-24)19-5-7-20(27-4)8-6-19/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyCMDWCWZHQPOXPL-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 644999) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CMDWCWZHQPOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-13-17(2)22(18(3)14-16)23-21(26)15-24-9-11-25(12-10-24)19-5-7-20(27-4)8-6-19/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 644999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).