2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C23H30N4O3 — CID 4832673

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O3/c1-30-17-12-24-23(29)25-21(28)18-26-13-15-27(16-14-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-18H2,1H3,(H2,24,25,28,29)
InChIKeyPIHCJMPLBGUWFN-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.87
Rot. Bonds8

About 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 4832673) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID4832673
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O3/c1-30-17-12-24-23(29)25-21(28)18-26-13-15-27(16-14-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-18H2,1H3,(H2,24,25,28,29)
InChIKeyPIHCJMPLBGUWFN-UHFFFAOYSA-N
XLogP1.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)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-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 4832673) is 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is PIHCJMPLBGUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-30-17-12-24-23(29)25-21(28)18-26-13-15-27(16-14-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-18H2,1H3,(H2,24,25,28,29).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 4832673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).