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

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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).