N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide

C24H28FN5O3 — CID 46357022

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C24H28FN5O3/c1-27-20-9-4-5-10-21(20)30(24(33)23(27)32)17-22(31)26-11-6-12-28-13-15-29(16-14-28)19-8-3-2-7-18(19)25/h2-5,7-10H,6,11-17H2,1H3,(H,26,31)
InChIKeySDGLLVDHOPDBDR-UHFFFAOYSA-N
MW453.52 g/mol
LogP1.17
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (PubChem CID 46357022) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
PubChem CID46357022
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C24H28FN5O3/c1-27-20-9-4-5-10-21(20)30(24(33)23(27)32)17-22(31)26-11-6-12-28-13-15-29(16-14-28)19-8-3-2-7-18(19)25/h2-5,7-10H,6,11-17H2,1H3,(H,26,31)
InChIKeySDGLLVDHOPDBDR-UHFFFAOYSA-N
XLogP1.17
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 46357058
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22522552
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884265
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-[3-(azepan-1-yl)propyl]-2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 22580628
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 20890169
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (CID 46357022) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is Cn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The InChIKey is SDGLLVDHOPDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-27-20-9-4-5-10-21(20)30(24(33)23(27)32)17-22(31)26-11-6-12-28-13-15-29(16-14-28)19-8-3-2-7-18(19)25/h2-5,7-10H,6,11-17H2,1H3,(H,26,31).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide has a molecular weight of 453.52 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46357022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).