2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide

C21H23FN4O3 — CID 2813010

IUPAC2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)c1ccc(C(=O)N2CCNC(=O)C2CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN4O3/c1-25(2)17-9-3-14(4-10-17)21(29)26-12-11-23-20(28)18(26)13-19(27)24-16-7-5-15(22)6-8-16/h3-10,18H,11-13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyOZXGJDCZFFKIFV-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide

2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 2813010) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
PubChem CID2813010
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)c1ccc(C(=O)N2CCNC(=O)C2CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN4O3/c1-25(2)17-9-3-14(4-10-17)21(29)26-12-11-23-20(28)18(26)13-19(27)24-16-7-5-15(22)6-8-16/h3-10,18H,11-13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyOZXGJDCZFFKIFV-UHFFFAOYSA-N
XLogP1.86
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzamide
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4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide (CID 2813010) is 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide is CN(C)c1ccc(C(=O)N2CCNC(=O)C2CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is OZXGJDCZFFKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-25(2)17-9-3-14(4-10-17)21(29)26-12-11-23-20(28)18(26)13-19(27)24-16-7-5-15(22)6-8-16/h3-10,18H,11-13H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2813010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).