2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

C15H19BrN2O3 — CID 83198667

IUPAC2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)c2ccc(Br)nc2)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(2,14(20)21)11-4-3-7-18(9-11)13(19)10-5-6-12(16)17-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyWEKIWYVCENGPHL-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.81
Rot. Bonds3

About 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198667) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198667
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)c2ccc(Br)nc2)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(2,14(20)21)11-4-3-7-18(9-11)13(19)10-5-6-12(16)17-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyWEKIWYVCENGPHL-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-bromobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198806
2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83198257
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
(6-bromo-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66462579
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 83197337
2-methyl-2-[1-(5-methylpyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 154844231
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83198667) is 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)c2ccc(Br)nc2)C1.
What is the InChIKey of 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is WEKIWYVCENGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(2,14(20)21)11-4-3-7-18(9-11)13(19)10-5-6-12(16)17-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 355.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).