N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C21H24FN3O2 — CID 109029942

IUPACN-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-16(26)17-5-4-6-18(15-17)23-21(27)9-10-24-11-13-25(14-12-24)20-8-3-2-7-19(20)22/h2-8,15H,9-14H2,1H3,(H,23,27)
InChIKeyNAPNMIQBVBTNES-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.18
Rot. Bonds6

About N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 109029942) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID109029942
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-16(26)17-5-4-6-18(15-17)23-21(27)9-10-24-11-13-25(14-12-24)20-8-3-2-7-19(20)22/h2-8,15H,9-14H2,1H3,(H,23,27)
InChIKeyNAPNMIQBVBTNES-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029946
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376
methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109027365
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 109029942) is N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is CC(=O)c1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is NAPNMIQBVBTNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-16(26)17-5-4-6-18(15-17)23-21(27)9-10-24-11-13-25(14-12-24)20-8-3-2-7-19(20)22/h2-8,15H,9-14H2,1H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 369.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109029942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).