4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide

C21H23N3O3 — CID 70709347

IUPAC4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCC1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)CCC(N)=O
InChIInChI=1S/C21H23N3O3/c1-15-13-24(21(27)14-23(15)20(26)12-11-19(22)25)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,22,25)
InChIKeyAEVYEVMXRFSKNC-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.18
Rot. Bonds5

About 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide

4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 70709347) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID70709347
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCC1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)CCC(N)=O
InChIInChI=1S/C21H23N3O3/c1-15-13-24(21(27)14-23(15)20(26)12-11-19(22)25)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,22,25)
InChIKeyAEVYEVMXRFSKNC-UHFFFAOYSA-N
XLogP2.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide 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

(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one
CID 97154900
2-[(2R)-2-benzyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]acetamide
CID 97147954
(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
CID 96575287
1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70740670
1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70762121
3-amino-1-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
CID 124695776
2-[5-methyl-2-oxo-4-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 70777469
4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)pentan-1-one
CID 120565781
2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
CID 24688652
(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
CID 96582385
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one
CID 119893341

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide (CID 70709347) is 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide is CC1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)CCC(N)=O.
What is the InChIKey of 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is AEVYEVMXRFSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-13-24(21(27)14-23(15)20(26)12-11-19(22)25)18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,22,25).
What are the key properties of 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide?
4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 365.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 70709347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).