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

C15H22FN3O — CID 62832473

IUPAC3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCNCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-2-17-8-7-15(20)19-11-9-18(10-12-19)14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3
InChIKeyCUPZQOBGMJXCIT-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.47
Rot. Bonds5

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

3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 62832473) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID62832473
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCNCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-2-17-8-7-15(20)19-11-9-18(10-12-19)14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3
InChIKeyCUPZQOBGMJXCIT-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
3-[2-(4-fluorophenyl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109025121
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111149984
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
(2S)-2-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,3-dimethylbutanamide
CID 119858800
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine;hydroiodide
CID 111149983

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 62832473) is 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CCNCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is CUPZQOBGMJXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-17-8-7-15(20)19-11-9-18(10-12-19)14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3.
What are the key properties of 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 279.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 62832473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).