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

C21H26N4O2 — CID 31338650

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-22-21(27)23-19(26)16-24-12-14-25(15-13-24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3,(H2,22,23,26,27)
InChIKeyUFZGCWRIZCDUOC-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.85
Rot. Bonds5

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

2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide (PubChem CID 31338650) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
PubChem CID31338650
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-22-21(27)23-19(26)16-24-12-14-25(15-13-24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3,(H2,22,23,26,27)
InChIKeyUFZGCWRIZCDUOC-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 134060036
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 10432016
(2S)-4-(4-benzhydrylpiperazin-1-yl)-3-oxo-2-phenylbutanenitrile
CID 7689327
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4642015
N-tert-butyl-2-[4-[(S)-cyano(phenyl)methyl]piperazin-1-yl]acetamide
CID 97054745
2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
CID 22198313

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide (CID 31338650) is 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide?
The InChIKey is UFZGCWRIZCDUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-22-21(27)23-19(26)16-24-12-14-25(15-13-24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-16H2,1H3,(H2,22,23,26,27).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 31338650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).