4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one

C16H24FN3O — CID 63594947

IUPAC4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one
SMILESCCCNC(C)c1cc(F)ccc1N1CCNC(=O)C1C
InChIInChI=1S/C16H24FN3O/c1-4-7-18-11(2)14-10-13(17)5-6-15(14)20-9-8-19-16(21)12(20)3/h5-6,10-12,18H,4,7-9H2,1-3H3,(H,19,21)
InChIKeyGUIWEXOOFAQSEB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.21
Rot. Bonds5

About 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one

4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one (PubChem CID 63594947) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one
PubChem CID63594947
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one
SMILESCCCNC(C)c1cc(F)ccc1N1CCNC(=O)C1C
InChIInChI=1S/C16H24FN3O/c1-4-7-18-11(2)14-10-13(17)5-6-15(14)20-9-8-19-16(21)12(20)3/h5-6,10-12,18H,4,7-9H2,1-3H3,(H,19,21)
InChIKeyGUIWEXOOFAQSEB-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 78946537
N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 63534019
4-[4-amino-2-(difluoromethyl)phenyl]-3-methylpiperazin-2-one
CID 63735832
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
CID 63606315
4-[4-(aminomethyl)-2-fluorophenyl]-3-methylpiperazin-2-one
CID 63595562
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
CID 113367834
4-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-3-methylpiperazine-2,6-dione
CID 66061174
3-ethyl-4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
CID 66068914

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one (CID 63594947) is 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one is CCCNC(C)c1cc(F)ccc1N1CCNC(=O)C1C.
What is the InChIKey of 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one?
The InChIKey is GUIWEXOOFAQSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-4-7-18-11(2)14-10-13(17)5-6-15(14)20-9-8-19-16(21)12(20)3/h5-6,10-12,18H,4,7-9H2,1-3H3,(H,19,21).
What are the key properties of 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one?
4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one has a molecular weight of 293.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63594947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).