1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one

C14H18Br2N2O2 — CID 103416948

IUPAC1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2cc(OC)c(Br)cc2Br)C1=O
InChIInChI=1S/C14H18Br2N2O2/c1-3-17-11-5-4-6-18(14(11)19)12-8-13(20-2)10(16)7-9(12)15/h7-8,11,17H,3-6H2,1-2H3
InChIKeyFMEKWBUYHLKCIF-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.33
Rot. Bonds4

About 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one

1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one (PubChem CID 103416948) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
PubChem CID103416948
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2cc(OC)c(Br)cc2Br)C1=O
InChIInChI=1S/C14H18Br2N2O2/c1-3-17-11-5-4-6-18(14(11)19)12-8-13(20-2)10(16)7-9(12)15/h7-8,11,17H,3-6H2,1-2H3
InChIKeyFMEKWBUYHLKCIF-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 103587567
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
CID 103414484
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-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697
1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973009
1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 15154182
1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
3-(ethylamino)-1-[2-(2-methoxyethyl)phenyl]pyrrolidin-2-one
CID 102906315
1-(2-bromo-4-iodophenyl)-3-(methylamino)piperidin-2-one
CID 114261349
1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973272

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one (CID 103416948) is 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one is CCNC1CCCN(c2cc(OC)c(Br)cc2Br)C1=O.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one?
The InChIKey is FMEKWBUYHLKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-3-17-11-5-4-6-18(14(11)19)12-8-13(20-2)10(16)7-9(12)15/h7-8,11,17H,3-6H2,1-2H3.
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one?
1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one has a molecular weight of 406.12 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one is sourced from PubChem (CID 103416948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).