3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid

C14H17BrN2O3 — CID 120536755

IUPAC3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ccncc1Br
InChIInChI=1S/C14H17BrN2O3/c15-12-9-16-7-6-11(12)14(20)17-8-2-1-3-10(17)4-5-13(18)19/h6-7,9-10H,1-5,8H2,(H,18,19)
InChIKeyWZZWJTWCGFMVML-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.70
Rot. Bonds4

About 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 120536755) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID120536755
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1ccncc1Br
InChIInChI=1S/C14H17BrN2O3/c15-12-9-16-7-6-11(12)14(20)17-8-2-1-3-10(17)4-5-13(18)19/h6-7,9-10H,1-5,8H2,(H,18,19)
InChIKeyWZZWJTWCGFMVML-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

1-(3-bromopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120514918
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068
3-[1-(4-bromo-2-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217115
3-[1-(3-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 120536867
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
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
3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
CID 76937492
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid (CID 120536755) is 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1ccncc1Br.
What is the InChIKey of 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is WZZWJTWCGFMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-12-9-16-7-6-11(12)14(20)17-8-2-1-3-10(17)4-5-13(18)19/h6-7,9-10H,1-5,8H2,(H,18,19).
What are the key properties of 3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(3-bromopyridine-4-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-4-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 120536755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).