2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide

C23H26FN3O3 — CID 2813006

IUPAC2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCNC(=O)C2CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O3/c1-23(2,3)16-6-4-15(5-7-16)22(30)27-13-12-25-21(29)19(27)14-20(28)26-18-10-8-17(24)9-11-18/h4-11,19H,12-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyCZBSTGSMQJGABN-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide

2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 2813006) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
PubChem CID2813006
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCNC(=O)C2CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O3/c1-23(2,3)16-6-4-15(5-7-16)22(30)27-13-12-25-21(29)19(27)14-20(28)26-18-10-8-17(24)9-11-18/h4-11,19H,12-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyCZBSTGSMQJGABN-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide (CID 2813006) is 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide is CC(C)(C)c1ccc(C(=O)N2CCNC(=O)C2CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is CZBSTGSMQJGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-23(2,3)16-6-4-15(5-7-16)22(30)27-13-12-25-21(29)19(27)14-20(28)26-18-10-8-17(24)9-11-18/h4-11,19H,12-14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide?
2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2813006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).