4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one

C25H25N3O2 — CID 70738705

IUPAC4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
SMILESNCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)CC1Cc1ccccc1
InChIInChI=1S/C25H25N3O2/c26-16-24(29)28-18-25(30)27(17-23(28)14-19-8-3-1-4-9-19)22-13-7-12-21(15-22)20-10-5-2-6-11-20/h1-13,15,23H,14,16-18,26H2
InChIKeyDYOLMCOCLURLHD-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.10
Rot. Bonds5

About 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one

4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one (PubChem CID 70738705) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
PubChem CID70738705
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
SMILESNCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)CC1Cc1ccccc1
InChIInChI=1S/C25H25N3O2/c26-16-24(29)28-18-25(30)27(17-23(28)14-19-8-3-1-4-9-19)22-13-7-12-21(15-22)20-10-5-2-6-11-20/h1-13,15,23H,14,16-18,26H2
InChIKeyDYOLMCOCLURLHD-UHFFFAOYSA-N
XLogP3.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
CID 70736446
(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one
CID 97154900
5-butyl-4-(3-hydroxypropanoyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70785641
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178
1-[(2S)-2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 96574461
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
CID 97113526
5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 70749410
5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70728334
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one (CID 70738705) is 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one is NCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)CC1Cc1ccccc1.
What is the InChIKey of 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one?
The InChIKey is DYOLMCOCLURLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c26-16-24(29)28-18-25(30)27(17-23(28)14-19-8-3-1-4-9-19)22-13-7-12-21(15-22)20-10-5-2-6-11-20/h1-13,15,23H,14,16-18,26H2.
What are the key properties of 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one?
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one has a molecular weight of 399.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 70738705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).