2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide

C25H33N3O3 — CID 10202552

IUPAC2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
SMILESCc1c(C)c(OCC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)c(C)c1N
InChIInChI=1S/C25H33N3O3/c1-16-18(3)24(19(4)17(2)23(16)26)31-15-22(29)27(5)21-11-13-28(14-12-21)25(30)20-9-7-6-8-10-20/h6-10,21H,11-15,26H2,1-5H3
InChIKeyUQGCIEYGWAFZHZ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide

2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide (PubChem CID 10202552) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
PubChem CID10202552
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
SMILESCc1c(C)c(OCC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)c(C)c1N
InChIInChI=1S/C25H33N3O3/c1-16-18(3)24(19(4)17(2)23(16)26)31-15-22(29)27(5)21-11-13-28(14-12-21)25(30)20-9-7-6-8-10-20/h6-10,21H,11-15,26H2,1-5H3
InChIKeyUQGCIEYGWAFZHZ-UHFFFAOYSA-N
XLogP3.64
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide?
The IUPAC name of 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide (CID 10202552) is 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide is Cc1c(C)c(OCC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)c(C)c1N.
What is the InChIKey of 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide?
The InChIKey is UQGCIEYGWAFZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-16-18(3)24(19(4)17(2)23(16)26)31-15-22(29)27(5)21-11-13-28(14-12-21)25(30)20-9-7-6-8-10-20/h6-10,21H,11-15,26H2,1-5H3.
What are the key properties of 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide?
2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide has a molecular weight of 423.56 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide is sourced from PubChem (CID 10202552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).