1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid

C15H18BrNO4 — CID 43238981

IUPAC1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C15H18BrNO4/c16-12-2-1-3-13(10-12)21-9-6-14(18)17-7-4-11(5-8-17)15(19)20/h1-3,10-11H,4-9H2,(H,19,20)
InChIKeyKGECFZVUNPGMHR-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid

1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid (PubChem CID 43238981) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid
PubChem CID43238981
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C15H18BrNO4/c16-12-2-1-3-13(10-12)21-9-6-14(18)17-7-4-11(5-8-17)15(19)20/h1-3,10-11H,4-9H2,(H,19,20)
InChIKeyKGECFZVUNPGMHR-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-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

3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
3-(3-bromophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622818
4-(3-bromophenoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 112760327
1-[2-(3-bromophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031622
1-[4-(3-acetylphenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166436
3-(3-bromophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119539674
1-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564118
4-(3-bromophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119544947
1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973504
3-(3-bromophenoxy)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 55396726
1-(4-benzoylpiperazin-1-yl)-4-(3-bromophenoxy)butan-1-one
CID 112792150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid (CID 43238981) is 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCOc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is KGECFZVUNPGMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c16-12-2-1-3-13(10-12)21-9-6-14(18)17-7-4-11(5-8-17)15(19)20/h1-3,10-11H,4-9H2,(H,19,20).
What are the key properties of 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid?
1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).