2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid

C14H15BrClNO3 — CID 107938177

IUPAC2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C14H15BrClNO3/c15-11-6-10(7-12(16)8-11)14(20)17-3-1-9(2-4-17)5-13(18)19/h6-9H,1-5H2,(H,18,19)
InChIKeyBZUSJAZLCVIYHU-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.43
Rot. Bonds3

About 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid

2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid (PubChem CID 107938177) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
PubChem CID107938177
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C14H15BrClNO3/c15-11-6-10(7-12(16)8-11)14(20)17-3-1-9(2-4-17)5-13(18)19/h6-9H,1-5H2,(H,18,19)
InChIKeyBZUSJAZLCVIYHU-UHFFFAOYSA-N
XLogP3.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
2-[1-(3-bromo-5-propan-2-yloxybenzoyl)piperidin-4-yl]acetic acid
CID 119178495
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid (CID 107938177) is 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is BZUSJAZLCVIYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c15-11-6-10(7-12(16)8-11)14(20)17-3-1-9(2-4-17)5-13(18)19/h6-9H,1-5H2,(H,18,19).
What are the key properties of 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid?
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 360.64 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 107938177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).