3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one

C17H25FN2O — CID 120736504

IUPAC3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCC(CC)CC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-3-13(4-2)10-17(21)20-9-8-19-12-16(20)14-6-5-7-15(18)11-14/h5-7,11,13,16,19H,3-4,8-10,12H2,1-2H3
InChIKeyKPAGPKUYNQYFEX-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.12
Rot. Bonds5

About 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one

3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one (PubChem CID 120736504) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
PubChem CID120736504
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCC(CC)CC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-3-13(4-2)10-17(21)20-9-8-19-12-16(20)14-6-5-7-15(18)11-14/h5-7,11,13,16,19H,3-4,8-10,12H2,1-2H3
InChIKeyKPAGPKUYNQYFEX-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120736457
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one (CID 120736504) is 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one is CCC(CC)CC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is KPAGPKUYNQYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-13(4-2)10-17(21)20-9-8-19-12-16(20)14-6-5-7-15(18)11-14/h5-7,11,13,16,19H,3-4,8-10,12H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one?
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 292.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120736504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).