(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid

C13H13BrClNO3 — CID 79034416

IUPAC(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H13BrClNO3/c14-8-4-5-10(15)9(7-8)12(17)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6H2,(H,18,19)/t11-/m1/s1
InChIKeyBGMASAQZFQFYIT-LLVKDONJSA-N
MW346.61 g/mol
LogP3.18
Rot. Bonds2

About (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid

(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid (PubChem CID 79034416) has the molecular formula C13H13BrClNO3 and a molecular weight of 346.61 g/mol. Its IUPAC name is (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
PubChem CID79034416
Molecular FormulaC13H13BrClNO3
Molecular Weight346.61 g/mol
Exact Mass344.98
IUPAC Name(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H13BrClNO3/c14-8-4-5-10(15)9(7-8)12(17)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6H2,(H,18,19)/t11-/m1/s1
InChIKeyBGMASAQZFQFYIT-LLVKDONJSA-N
XLogP3.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 66263977
1-(4-bromo-2-chlorobenzoyl)azepane-2-carboxylic acid
CID 64558775
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
1-(4-bromo-2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 43629559
1-(2-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 79723645
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541
(2S)-1-(3,5-dichloro-2-iodobenzoyl)piperidine-2-carboxylic acid
CID 66264568

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid (CID 79034416) is (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid?
The InChIKey is BGMASAQZFQFYIT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13BrClNO3/c14-8-4-5-10(15)9(7-8)12(17)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid?
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid has a molecular weight of 346.61 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).