3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid

C16H20N2O3 — CID 76937492

IUPAC3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)C=Cc1cccnc1
InChIInChI=1S/C16H20N2O3/c19-15(8-6-13-4-3-10-17-12-13)18-11-2-1-5-14(18)7-9-16(20)21/h3-4,6,8,10,12,14H,1-2,5,7,9,11H2,(H,20,21)
InChIKeyHXOFGVMGMCVMPA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds5

About 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid

3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid (PubChem CID 76937492) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
PubChem CID76937492
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)C=Cc1cccnc1
InChIInChI=1S/C16H20N2O3/c19-15(8-6-13-4-3-10-17-12-13)18-11-2-1-5-14(18)7-9-16(20)21/h3-4,6,8,10,12,14H,1-2,5,7,9,11H2,(H,20,21)
InChIKeyHXOFGVMGMCVMPA-UHFFFAOYSA-N
XLogP2.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 61411290
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920
2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 106741747
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217286
(E)-1-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 95380663
(E)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 55064849
(E)-3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 60741700

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid (CID 76937492) is 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)C=Cc1cccnc1.
What is the InChIKey of 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid?
The InChIKey is HXOFGVMGMCVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(8-6-13-4-3-10-17-12-13)18-11-2-1-5-14(18)7-9-16(20)21/h3-4,6,8,10,12,14H,1-2,5,7,9,11H2,(H,20,21).
What are the key properties of 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid?
3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 76937492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).