2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid

C15H16BrNO3 — CID 63379117

IUPAC2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO3/c16-10-3-1-9(2-4-10)14-12(15(19)20)7-8-13(18)17(14)11-5-6-11/h1-4,11-12,14H,5-8H2,(H,19,20)
InChIKeyXWKZEVPXBTYXTL-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid

2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 63379117) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
PubChem CID63379117
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO3/c16-10-3-1-9(2-4-10)14-12(15(19)20)7-8-13(18)17(14)11-5-6-11/h1-4,11-12,14H,5-8H2,(H,19,20)
InChIKeyXWKZEVPXBTYXTL-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 63379529
2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379163
2-(5-bromo-2-pyridinyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxylic acid
CID 113394050
(4aS,8aS)-6-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 124841193
2-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77284529
(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
CID 6928851
1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 115990908
2-(3-bromo-4-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 83240953
(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 6986931
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 102549060
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid (CID 63379117) is 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(C2CC2)C1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is XWKZEVPXBTYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-10-3-1-9(2-4-10)14-12(15(19)20)7-8-13(18)17(14)11-5-6-11/h1-4,11-12,14H,5-8H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 338.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 63379117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).