3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid

C16H20N2O3 — CID 76909065

IUPAC3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESCC1CC(C)CN(C(=O)c2cncc(C=CC(=O)O)c2)C1
InChIInChI=1S/C16H20N2O3/c1-11-5-12(2)10-18(9-11)16(21)14-6-13(7-17-8-14)3-4-15(19)20/h3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,19,20)
InChIKeySSKWTGNJWJMKJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds3

About 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid

3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 76909065) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID76909065
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESCC1CC(C)CN(C(=O)c2cncc(C=CC(=O)O)c2)C1
InChIInChI=1S/C16H20N2O3/c1-11-5-12(2)10-18(9-11)16(21)14-6-13(7-17-8-14)3-4-15(19)20/h3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,19,20)
InChIKeySSKWTGNJWJMKJR-UHFFFAOYSA-N
XLogP2.30
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic 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

3-[5-(2,6-dimethylthiomorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 77020631
3-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 54974747
(E)-3-[5-[(3-methylcyclopentyl)methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 107415115
(E)-3-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 109375240
3-[5-(cyclopropylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974848
[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 174395737
3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460847
(E)-3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 109375737
3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974847
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
3-[5-(5-methylhexan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77013118
3-[5-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 77004571

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid (CID 76909065) is 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid is CC1CC(C)CN(C(=O)c2cncc(C=CC(=O)O)c2)C1.
What is the InChIKey of 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is SSKWTGNJWJMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-12(2)10-18(9-11)16(21)14-6-13(7-17-8-14)3-4-15(19)20/h3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76909065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).