4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one

C19H25FN4O2 — CID 147419422

IUPAC4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one
SMILESCC/N=C(\C=C(C)N)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O2/c1-3-22-17(12-14(2)21)19(26)24-10-8-23(9-11-24)13-18(25)15-4-6-16(20)7-5-15/h4-7,12H,3,8-11,13,21H2,1-2H3/b14-12?,22-17+
InChIKeyFYZVPTZHPSPBHL-LYFVBRFPSA-N
MW360.43 g/mol
LogP1.48
Rot. Bonds6

About 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one

4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one (PubChem CID 147419422) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one.

Molecular Properties

Compound Name4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one
PubChem CID147419422
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one
SMILESCC/N=C(\C=C(C)N)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O2/c1-3-22-17(12-14(2)21)19(26)24-10-8-23(9-11-24)13-18(25)15-4-6-16(20)7-5-15/h4-7,12H,3,8-11,13,21H2,1-2H3/b14-12?,22-17+
InChIKeyFYZVPTZHPSPBHL-LYFVBRFPSA-N
XLogP1.48
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-amino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-4-imino-5-methylhex-2-en-1-one
CID 143653758
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358987
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
2-amino-3-chloro-1-[(2S)-4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpiperazin-1-yl]-4-methyliminobut-2-en-1-one
CID 143653771

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one?
The IUPAC name of 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one (CID 147419422) is 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one.
What is the SMILES notation for 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one?
The canonical SMILES for 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one is CC/N=C(\C=C(C)N)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one?
The InChIKey is FYZVPTZHPSPBHL-LYFVBRFPSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-3-22-17(12-14(2)21)19(26)24-10-8-23(9-11-24)13-18(25)15-4-6-16(20)7-5-15/h4-7,12H,3,8-11,13,21H2,1-2H3/b14-12?,22-17+.
What are the key properties of 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one?
4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one has a molecular weight of 360.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one is sourced from PubChem (CID 147419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).