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

C14H17BrN2O3 — CID 107517068

IUPAC3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C14H17BrN2O3/c15-11-5-3-8-16-13(11)14(20)17-9-2-1-4-10(17)6-7-12(18)19/h3,5,8,10H,1-2,4,6-7,9H2,(H,18,19)
InChIKeyFYDKPEHHXIJMMD-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.70
Rot. Bonds4

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

3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 107517068) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID107517068
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C14H17BrN2O3/c15-11-5-3-8-16-13(11)14(20)17-9-2-1-4-10(17)6-7-12(18)19/h3,5,8,10H,1-2,4,6-7,9H2,(H,18,19)
InChIKeyFYDKPEHHXIJMMD-UHFFFAOYSA-N
XLogP2.70
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]propanoic acid
CID 125118170
1-[1-(3-bromopyridine-2-carbonyl)azepan-2-yl]propan-2-one
CID 107517573
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
CID 107518190
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
3-[1-(3-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 120536867
3-[(2S)-1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 94373903
3-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217815
3-[1-(3-bromo-4-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 107997829
3-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 81458499

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid (CID 107517068) is 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1ncccc1Br.
What is the InChIKey of 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is FYDKPEHHXIJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-5-3-8-16-13(11)14(20)17-9-2-1-4-10(17)6-7-12(18)19/h3,5,8,10H,1-2,4,6-7,9H2,(H,18,19).
What are the key properties of 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 341.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 107517068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).