1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one

C14H15BrClFN2O — CID 107617205

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one
SMILESO=C1C(NC2CC2)CCCN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H15BrClFN2O/c15-10-6-8(17)7-11(16)13(10)19-5-1-2-12(14(19)20)18-9-3-4-9/h6-7,9,12,18H,1-5H2
InChIKeyRPMGEZVLCFTEEA-UHFFFAOYSA-N
MW361.64 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one

1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one (PubChem CID 107617205) has the molecular formula C14H15BrClFN2O and a molecular weight of 361.64 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one
PubChem CID107617205
Molecular FormulaC14H15BrClFN2O
Molecular Weight361.64 g/mol
Exact Mass360.00
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one
SMILESO=C1C(NC2CC2)CCCN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H15BrClFN2O/c15-10-6-8(17)7-11(16)13(10)19-5-1-2-12(14(19)20)18-9-3-4-9/h6-7,9,12,18H,1-5H2
InChIKeyRPMGEZVLCFTEEA-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one (CID 107617205) is 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one is O=C1C(NC2CC2)CCCN1c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one?
The InChIKey is RPMGEZVLCFTEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2O/c15-10-6-8(17)7-11(16)13(10)19-5-1-2-12(14(19)20)18-9-3-4-9/h6-7,9,12,18H,1-5H2.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one?
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one has a molecular weight of 361.64 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one is sourced from PubChem (CID 107617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).