N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide

C21H20FN5O2 — CID 9022059

IUPACN-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc3nccnc3c2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c22-16-2-4-17(5-3-16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-1-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyWKZXMZBHNDSRQI-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.17
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide (PubChem CID 9022059) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
PubChem CID9022059
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc3nccnc3c2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c22-16-2-4-17(5-3-16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-1-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyWKZXMZBHNDSRQI-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
CID 27849909
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021871
N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9020752
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 55699772
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide (CID 9022059) is N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccc3nccnc3c2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WKZXMZBHNDSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-2-4-17(5-3-16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-1-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9022059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).