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

C19H22FN3O2 — CID 861149

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O2/c1-25-18-4-2-3-16(13-18)21-19(24)14-22-9-11-23(12-10-22)17-7-5-15(20)6-8-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyVXWGUMSGUAIZRA-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.60
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 861149) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID861149
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O2/c1-25-18-4-2-3-16(13-18)21-19(24)14-22-9-11-23(12-10-22)17-7-5-15(20)6-8-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyVXWGUMSGUAIZRA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 861149) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is VXWGUMSGUAIZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-18-4-2-3-16(13-18)21-19(24)14-22-9-11-23(12-10-22)17-7-5-15(20)6-8-17/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-methoxyphenyl)acetamide?
2-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 861149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).