1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one

C14H18BrFN2O — CID 107594221

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2cc(Br)c(F)cc2C)C1=O
InChIInChI=1S/C14H18BrFN2O/c1-3-17-12-5-4-6-18(14(12)19)13-8-10(15)11(16)7-9(13)2/h7-8,12,17H,3-6H2,1-2H3
InChIKeyLMARSGCNGLQSNU-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.00
Rot. Bonds3

About 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one

1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one (PubChem CID 107594221) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
PubChem CID107594221
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2cc(Br)c(F)cc2C)C1=O
InChIInChI=1S/C14H18BrFN2O/c1-3-17-12-5-4-6-18(14(12)19)13-8-10(15)11(16)7-9(13)2/h7-8,12,17H,3-6H2,1-2H3
InChIKeyLMARSGCNGLQSNU-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 103587567
1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
CID 103416948
1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
CID 107592762
1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
CID 104725316
2-[3-(ethylamino)-2-oxopiperidin-1-yl]-5-fluorobenzonitrile
CID 82685698
1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 107590497
1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973009
1-(4-bromo-2,5-difluorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107608068
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 107594340
3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one (CID 107594221) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one is CCNC1CCCN(c2cc(Br)c(F)cc2C)C1=O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one?
The InChIKey is LMARSGCNGLQSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-3-17-12-5-4-6-18(14(12)19)13-8-10(15)11(16)7-9(13)2/h7-8,12,17H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one has a molecular weight of 329.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one is sourced from PubChem (CID 107594221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).