2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide

C23H25FN4O3 — CID 67907049

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide
SMILESCc1c2ccc(=O)cc-2onc1CCNC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN4O3/c1-16-20-7-6-19(29)14-22(20)31-26-21(16)8-9-25-23(30)15-27-10-12-28(13-11-27)18-4-2-17(24)3-5-18/h2-7,14H,8-13,15H2,1H3,(H,25,30)
InChIKeyPMXANQVQJXGDQA-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide (PubChem CID 67907049) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide
PubChem CID67907049
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide
SMILESCc1c2ccc(=O)cc-2onc1CCNC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN4O3/c1-16-20-7-6-19(29)14-22(20)31-26-21(16)8-9-25-23(30)15-27-10-12-28(13-11-27)18-4-2-17(24)3-5-18/h2-7,14H,8-13,15H2,1H3,(H,25,30)
InChIKeyPMXANQVQJXGDQA-UHFFFAOYSA-N
XLogP2.07
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]propanamide
CID 55960365
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 54167227
3-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34993025
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988
2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 55657854
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55851465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide (CID 67907049) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide is Cc1c2ccc(=O)cc-2onc1CCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide?
The InChIKey is PMXANQVQJXGDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-16-20-7-6-19(29)14-22(20)31-26-21(16)8-9-25-23(30)15-27-10-12-28(13-11-27)18-4-2-17(24)3-5-18/h2-7,14H,8-13,15H2,1H3,(H,25,30).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide is sourced from PubChem (CID 67907049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).