2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid

C14H16BrNO4 — CID 63870210

IUPAC2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H16BrNO4/c15-12-4-2-1-3-11(12)14(19)16-7-5-10(6-8-16)20-9-13(17)18/h1-4,10H,5-9H2,(H,17,18)
InChIKeyAMAYUPVBCZYCSV-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.15
Rot. Bonds4

About 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid

2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63870210) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63870210
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H16BrNO4/c15-12-4-2-1-3-11(12)14(19)16-7-5-10(6-8-16)20-9-13(17)18/h1-4,10H,5-9H2,(H,17,18)
InChIKeyAMAYUPVBCZYCSV-UHFFFAOYSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882
2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869212
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
CID 84607755
2-[1-(3-bromo-2-carbamoylphenyl)piperidin-4-yl]oxyacetic acid
CID 114880178
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid (CID 63870210) is 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is AMAYUPVBCZYCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-12-4-2-1-3-11(12)14(19)16-7-5-10(6-8-16)20-9-13(17)18/h1-4,10H,5-9H2,(H,17,18).
What are the key properties of 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 342.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63870210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).