3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide

C28H29N3O3 — CID 129454780

IUPAC3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H29N3O3/c1-20(32)30-16-17-31(25(19-30)23-14-9-15-24(18-23)27(33)29-2)28(34)26(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25-26H,16-17,19H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKeyGAIWLDHGVAWVGB-VWLOTQADSA-N
MW455.56 g/mol
LogP3.61
Rot. Bonds5

About 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide (PubChem CID 129454780) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
PubChem CID129454780
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H29N3O3/c1-20(32)30-16-17-31(25(19-30)23-14-9-15-24(18-23)27(33)29-2)28(34)26(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25-26H,16-17,19H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKeyGAIWLDHGVAWVGB-VWLOTQADSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124961666
3-[1-acetyl-4-(4-benzyloxane-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 110151965
3-[(2R)-4-acetyl-1-(1H-imidazol-5-ylmethyl)piperazin-2-yl]-N-methylbenzamide
CID 124976849
3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
CID 124974170
3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 125010756
3-[4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 110151897
3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458672
3-[(2R)-1-acetyl-4-[4-(3-methylphenyl)oxane-4-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458626
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129456366
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
tert-butyl 3-[3-(methylcarbamoyl)phenyl]-4-(4-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 110090530
tert-butyl (3R)-3-[3-(methylcarbamoyl)phenyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxylate
CID 124989383

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide (CID 129454780) is 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide?
The InChIKey is GAIWLDHGVAWVGB-VWLOTQADSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20(32)30-16-17-31(25(19-30)23-14-9-15-24(18-23)27(33)29-2)28(34)26(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25-26H,16-17,19H2,1-2H3,(H,29,33)/t25-/m0/s1.
What are the key properties of 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide has a molecular weight of 455.56 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 129454780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).