2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide

C22H25N3O4 — CID 2813215

IUPAC2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H25N3O4/c1-14-4-5-16(12-15(14)2)22(28)25-11-10-23-21(27)19(25)13-20(26)24-17-6-8-18(29-3)9-7-17/h4-9,12,19H,10-11,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyVFBKHBXTFDEUIS-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.28
Rot. Bonds5

About 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide

2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2813215) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID2813215
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H25N3O4/c1-14-4-5-16(12-15(14)2)22(28)25-11-10-23-21(27)19(25)13-20(26)24-17-6-8-18(29-3)9-7-17/h4-9,12,19H,10-11,13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyVFBKHBXTFDEUIS-UHFFFAOYSA-N
XLogP2.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 6975965
2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 41281853
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
N-(4-bromophenyl)-2-[(2S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 98281204
2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 29161158
ethyl 4-[2-[(2S)-2-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 29161100
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
2-[1-(3,6-dichloro-1-benzothiophene-2-carbonyl)-3-oxopiperazin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 170904011
ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7126577
(3S)-4-(3,4-dimethoxybenzoyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 41281501
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide (CID 2813215) is 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is VFBKHBXTFDEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-4-5-16(12-15(14)2)22(28)25-11-10-23-21(27)19(25)13-20(26)24-17-6-8-18(29-3)9-7-17/h4-9,12,19H,10-11,13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2813215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).