2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C17H22FN3O2 — CID 9442144

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C2CCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c18-14-4-6-15(7-5-14)19-16(22)12-20-8-10-21(11-9-20)17(23)13-2-1-3-13/h4-7,13H,1-3,8-12H2,(H,19,22)
InChIKeyPCMIKTNHXUQPRK-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 9442144) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID9442144
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C2CCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c18-14-4-6-15(7-5-14)19-16(22)12-20-8-10-21(11-9-20)17(23)13-2-1-3-13/h4-7,13H,1-3,8-12H2,(H,19,22)
InChIKeyPCMIKTNHXUQPRK-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 9442144) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)C2CCC2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PCMIKTNHXUQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-4-6-15(7-5-14)19-16(22)12-20-8-10-21(11-9-20)17(23)13-2-1-3-13/h4-7,13H,1-3,8-12H2,(H,19,22).
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9442144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).