4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide

C23H29N3O3 — CID 53145956

IUPAC4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCCOc1cccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-3-29-20-9-7-8-18(14-20)16-24-23(28)21-11-10-19(25-17(2)27)15-22(21)26-12-5-4-6-13-26/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyNLZJHJLGKBPGOC-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.96
Rot. Bonds7

About 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide

4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 53145956) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID53145956
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCCOc1cccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-3-29-20-9-7-8-18(14-20)16-24-23(28)21-11-10-19(25-17(2)27)15-22(21)26-12-5-4-6-13-26/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyNLZJHJLGKBPGOC-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide 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 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide (CID 53145956) is 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide is CCOc1cccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)c1.
What is the InChIKey of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is NLZJHJLGKBPGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-20-9-7-8-18(14-20)16-24-23(28)21-11-10-19(25-17(2)27)15-22(21)26-12-5-4-6-13-26/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).