2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide

C28H39N3O3 — CID 10459887

IUPAC2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C28H39N3O3/c1-23-3-5-25(6-4-23)22-31(28(32)21-24-7-9-27(33-2)10-8-24)26-11-13-29(14-12-26)15-16-30-17-19-34-20-18-30/h3-10,26H,11-22H2,1-2H3
InChIKeyHWDTXJIZVNBPLP-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.37
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide

2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide (PubChem CID 10459887) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide
PubChem CID10459887
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C28H39N3O3/c1-23-3-5-25(6-4-23)22-31(28(32)21-24-7-9-27(33-2)10-8-24)26-11-13-29(14-12-26)15-16-30-17-19-34-20-18-30/h3-10,26H,11-22H2,1-2H3
InChIKeyHWDTXJIZVNBPLP-UHFFFAOYSA-N
XLogP3.37
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide (CID 10459887) is 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide is COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCOCC3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide?
The InChIKey is HWDTXJIZVNBPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-23-3-5-25(6-4-23)22-31(28(32)21-24-7-9-27(33-2)10-8-24)26-11-13-29(14-12-26)15-16-30-17-19-34-20-18-30/h3-10,26H,11-22H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide?
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide has a molecular weight of 465.64 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 10459887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).