3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid

C13H16N2O2 — CID 69116911

IUPAC3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C13H16N2O2/c16-13(17)7-5-11-4-6-12(14-10-11)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,16,17)
InChIKeyBFOWLHXQLJGOTB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.17
Rot. Bonds3

About 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid

3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid (PubChem CID 69116911) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid
PubChem CID69116911
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C13H16N2O2/c16-13(17)7-5-11-4-6-12(14-10-11)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,16,17)
InChIKeyBFOWLHXQLJGOTB-UHFFFAOYSA-N
XLogP2.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
CID 170876950
(E)-3-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80632941
(E)-3-[6-(4-tert-butylpiperidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80637473
(E)-3-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]prop-2-enoic acid
CID 80632883
(E)-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 10681065
(E)-3-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633917
(E)-4-oxo-4-[(6-piperidin-1-yl-3-pyridinyl)amino]but-2-enoic acid
CID 60941834
(E)-3-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 82750549
(E)-3-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]prop-2-enoic acid
CID 80634016
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid?
The IUPAC name of 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid (CID 69116911) is 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid?
The canonical SMILES for 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid is O=C(O)C=Cc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid?
The InChIKey is BFOWLHXQLJGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(17)7-5-11-4-6-12(14-10-11)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,16,17).
What are the key properties of 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid?
3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 69116911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).