2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide

C19H22FN3O2 — CID 3243039

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H22FN3O2/c1-25-16-6-4-5-15(13-16)21-19(24)14-22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyMXBOGBFVAPFRQH-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 3243039) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID3243039
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H22FN3O2/c1-25-16-6-4-5-15(13-16)21-19(24)14-22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyMXBOGBFVAPFRQH-UHFFFAOYSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)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-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 3243039) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is MXBOGBFVAPFRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-16-6-4-5-15(13-16)21-19(24)14-22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3243039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).