3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid

C15H17N3O3 — CID 63722666

IUPAC3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESN#Cc1ccc(C(=O)N2CCCCC2CCC(=O)O)nc1
InChIInChI=1S/C15H17N3O3/c16-9-11-4-6-13(17-10-11)15(21)18-8-2-1-3-12(18)5-7-14(19)20/h4,6,10,12H,1-3,5,7-8H2,(H,19,20)
InChIKeyDDKTWCDSIKOODB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds4

About 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 63722666) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID63722666
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESN#Cc1ccc(C(=O)N2CCCCC2CCC(=O)O)nc1
InChIInChI=1S/C15H17N3O3/c16-9-11-4-6-13(17-10-11)15(21)18-8-2-1-3-12(18)5-7-14(19)20/h4,6,10,12H,1-3,5,7-8H2,(H,19,20)
InChIKeyDDKTWCDSIKOODB-UHFFFAOYSA-N
XLogP1.81
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid (CID 63722666) is 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid is N#Cc1ccc(C(=O)N2CCCCC2CCC(=O)O)nc1.
What is the InChIKey of 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is DDKTWCDSIKOODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-9-11-4-6-13(17-10-11)15(21)18-8-2-1-3-12(18)5-7-14(19)20/h4,6,10,12H,1-3,5,7-8H2,(H,19,20).
What are the key properties of 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63722666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).