3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid

C13H19N3O2 — CID 134069519

IUPAC3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c17-13(18)6-10-16-8-4-11(5-9-16)15-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,14,15)(H,17,18)
InChIKeyLPYHGYMNZQGIFN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds5

About 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid

3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid (PubChem CID 134069519) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
PubChem CID134069519
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c17-13(18)6-10-16-8-4-11(5-9-16)15-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,14,15)(H,17,18)
InChIKeyLPYHGYMNZQGIFN-UHFFFAOYSA-N
XLogP1.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 60708962
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
CID 151863774
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
2-[4-(2-methoxyanilino)piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 10735928
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid (CID 134069519) is 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(Nc2ccccn2)CC1.
What is the InChIKey of 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid?
The InChIKey is LPYHGYMNZQGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)6-10-16-8-4-11(5-9-16)15-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,14,15)(H,17,18).
What are the key properties of 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid?
3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 134069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).