1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one

C14H18F2N2O — CID 103587567

IUPAC1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2cc(F)c(C)cc2F)C1=O
InChIInChI=1S/C14H18F2N2O/c1-3-17-12-5-4-6-18(14(12)19)13-8-10(15)9(2)7-11(13)16/h7-8,12,17H,3-6H2,1-2H3
InChIKeyGQLYYTAZUFZIEZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.38
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one

1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one (PubChem CID 103587567) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
PubChem CID103587567
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2cc(F)c(C)cc2F)C1=O
InChIInChI=1S/C14H18F2N2O/c1-3-17-12-5-4-6-18(14(12)19)13-8-10(15)9(2)7-11(13)16/h7-8,12,17H,3-6H2,1-2H3
InChIKeyGQLYYTAZUFZIEZ-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973009
2-[3-(ethylamino)-2-oxopiperidin-1-yl]-5-fluorobenzonitrile
CID 82685698
3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958
1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
CID 103416948
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
CID 104725316
1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973272
3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
CID 103587951
1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)piperidin-2-one
CID 83023930
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one (CID 103587567) is 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one is CCNC1CCCN(c2cc(F)c(C)cc2F)C1=O.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one?
The InChIKey is GQLYYTAZUFZIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-3-17-12-5-4-6-18(14(12)19)13-8-10(15)9(2)7-11(13)16/h7-8,12,17H,3-6H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one?
1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one is sourced from PubChem (CID 103587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).