N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide

C24H30FN3O2 — CID 37404084

IUPACN-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN3O2/c1-3-19-6-5-7-20(4-2)24(19)26-22(29)17-27-12-14-28(15-13-27)23(30)16-18-8-10-21(25)11-9-18/h5-11H,3-4,12-17H2,1-2H3,(H,26,29)
InChIKeyCRAZNIOVOPUFOR-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.28
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide

N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 37404084) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
PubChem CID37404084
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN3O2/c1-3-19-6-5-7-20(4-2)24(19)26-22(29)17-27-12-14-28(15-13-27)23(30)16-18-8-10-21(25)11-9-18/h5-11H,3-4,12-17H2,1-2H3,(H,26,29)
InChIKeyCRAZNIOVOPUFOR-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404317
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200333
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
N-carbamoyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404315
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 37404298
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336589
N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 55682168
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995795
N-(2,6-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]acetamide
CID 9021521
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide (CID 37404084) is N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide is CCc1cccc(CC)c1NC(=O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is CRAZNIOVOPUFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-3-19-6-5-7-20(4-2)24(19)26-22(29)17-27-12-14-28(15-13-27)23(30)16-18-8-10-21(25)11-9-18/h5-11H,3-4,12-17H2,1-2H3,(H,26,29).
What are the key properties of N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 411.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 37404084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).