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

C19H22FN3O — CID 8704110

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyZFHFDLWCYZLOQK-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.89
Rot. Bonds4

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 8704110) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID8704110
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyZFHFDLWCYZLOQK-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 8704110) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ZFHFDLWCYZLOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 8704110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).