N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide

C20H21N3O5 — CID 167997381

IUPACN-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccccc3)C(=O)C2=O)c(OC)c1
InChIInChI=1S/C20H21N3O5/c1-27-15-8-9-16(17(12-15)28-2)21-18(24)13-22-10-11-23(20(26)19(22)25)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyKGJVQZNNMLUCPL-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.52
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide (PubChem CID 167997381) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide
PubChem CID167997381
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccccc3)C(=O)C2=O)c(OC)c1
InChIInChI=1S/C20H21N3O5/c1-27-15-8-9-16(17(12-15)28-2)21-18(24)13-22-10-11-23(20(26)19(22)25)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyKGJVQZNNMLUCPL-UHFFFAOYSA-N
XLogP1.52
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
2-[4-(3-chlorophenyl)-2,3-dioxopiperazin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 156590505
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
CID 167997554
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(4-bromophenyl)-4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833014
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(2,4-dimethoxyphenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98159653
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
N-(2,4-dimethoxyphenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetamide
CID 3850668

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide (CID 167997381) is N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCN(c3ccccc3)C(=O)C2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide?
The InChIKey is KGJVQZNNMLUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-15-8-9-16(17(12-15)28-2)21-18(24)13-22-10-11-23(20(26)19(22)25)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 167997381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).