1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one

C14H15BrClNO2 — CID 107987877

IUPAC1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2ccc(Cl)cc2Br)CCC1=O
InChIInChI=1S/C14H15BrClNO2/c1-2-9-8-17(6-5-13(9)18)14(19)11-4-3-10(16)7-12(11)15/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOUNNOQNGIALGNQ-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one

1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one (PubChem CID 107987877) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one
PubChem CID107987877
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2ccc(Cl)cc2Br)CCC1=O
InChIInChI=1S/C14H15BrClNO2/c1-2-9-8-17(6-5-13(9)18)14(19)11-4-3-10(16)7-12(11)15/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOUNNOQNGIALGNQ-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 114508192
(2,4-dichlorophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509238
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
(2-bromo-4-chlorophenyl)-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 107994318
(2-bromo-4-chlorophenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103852172
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107990480
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 103807096
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119592450

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one?
The IUPAC name of 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one (CID 107987877) is 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one.
What is the SMILES notation for 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one?
The canonical SMILES for 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one is CCC1CN(C(=O)c2ccc(Cl)cc2Br)CCC1=O.
What is the InChIKey of 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one?
The InChIKey is OUNNOQNGIALGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-2-9-8-17(6-5-13(9)18)14(19)11-4-3-10(16)7-12(11)15/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one?
1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one has a molecular weight of 344.64 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one is sourced from PubChem (CID 107987877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).