1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione

C14H18FN3O2 — CID 107522890

IUPAC1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(N)c2cccc(F)c2)CC1=O
InChIInChI=1S/C14H18FN3O2/c1-2-17-8-14(20)18(9-13(17)19)7-12(16)10-4-3-5-11(15)6-10/h3-6,12H,2,7-9,16H2,1H3
InChIKeyNPZABEDBMXJAFP-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione

1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione (PubChem CID 107522890) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione
PubChem CID107522890
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(N)c2cccc(F)c2)CC1=O
InChIInChI=1S/C14H18FN3O2/c1-2-17-8-14(20)18(9-13(17)19)7-12(16)10-4-3-5-11(15)6-10/h3-6,12H,2,7-9,16H2,1H3
InChIKeyNPZABEDBMXJAFP-UHFFFAOYSA-N
XLogP0.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-2-(3-fluorophenyl)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107522877
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
CID 18069544
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-bromo-2-phenylpropyl)-4-ethylpiperazine-2,5-dione
CID 79936907
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1S)-1-(3-fluorophenyl)-2-methylsulfonylethanamine
CID 94451384
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione (CID 107522890) is 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CC(N)c2cccc(F)c2)CC1=O.
What is the InChIKey of 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione?
The InChIKey is NPZABEDBMXJAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-2-17-8-14(20)18(9-13(17)19)7-12(16)10-4-3-5-11(15)6-10/h3-6,12H,2,7-9,16H2,1H3.
What are the key properties of 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione?
1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione has a molecular weight of 279.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 107522890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).