3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C21H24FN3O2 — CID 109027274

IUPAC3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-16(26)17-3-2-4-19(15-17)23-10-9-21(27)25-13-11-24(12-14-25)20-7-5-18(22)6-8-20/h2-8,15,23H,9-14H2,1H3
InChIKeyFWBNPNQKVOKVIG-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.18
Rot. Bonds6

About 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 109027274) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID109027274
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-16(26)17-3-2-4-19(15-17)23-10-9-21(27)25-13-11-24(12-14-25)20-7-5-18(22)6-8-20/h2-8,15,23H,9-14H2,1H3
InChIKeyFWBNPNQKVOKVIG-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

N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
3-(3-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029494
N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027257

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 109027274) is 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CC(=O)c1cccc(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is FWBNPNQKVOKVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-16(26)17-3-2-4-19(15-17)23-10-9-21(27)25-13-11-24(12-14-25)20-7-5-18(22)6-8-20/h2-8,15,23H,9-14H2,1H3.
What are the key properties of 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one 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 3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109027274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).