N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide

C22H26FN3O2 — CID 131942245

IUPACN-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCCc1cccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C22H26FN3O2/c1-2-17-6-5-7-18(16-17)24-21(27)10-11-22(28)26-14-12-25(13-15-26)20-9-4-3-8-19(20)23/h3-9,16H,2,10-15H2,1H3,(H,24,27)
InChIKeyOADLTKFHJDGJKA-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.46
Rot. Bonds6

About N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide

N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 131942245) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID131942245
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCCc1cccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C22H26FN3O2/c1-2-17-6-5-7-18(16-17)24-21(27)10-11-22(28)26-14-12-25(13-15-26)20-9-4-3-8-19(20)23/h3-9,16H,2,10-15H2,1H3,(H,24,27)
InChIKeyOADLTKFHJDGJKA-UHFFFAOYSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 131900461
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029946
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 9483749
N-[3-[[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]acetamide
CID 111148365
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide (CID 131942245) is N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide is CCc1cccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is OADLTKFHJDGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-2-17-6-5-7-18(16-17)24-21(27)10-11-22(28)26-14-12-25(13-15-26)20-9-4-3-8-19(20)23/h3-9,16H,2,10-15H2,1H3,(H,24,27).
What are the key properties of N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide?
N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 383.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 131942245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).