3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione

C13H15N3O2 — CID 166113376

IUPAC3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC3)nc2)C(=O)N1
InChIInChI=1S/C13H15N3O2/c17-12-5-3-10(13(18)15-12)9-2-4-11(14-8-9)16-6-1-7-16/h2,4,8,10H,1,3,5-7H2,(H,15,17,18)
InChIKeyHXMJZVAKQHHSLM-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.81
Rot. Bonds2

About 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione

3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166113376) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
PubChem CID166113376
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC3)nc2)C(=O)N1
InChIInChI=1S/C13H15N3O2/c17-12-5-3-10(13(18)15-12)9-2-4-11(14-8-9)16-6-1-7-16/h2,4,8,10H,1,3,5-7H2,(H,15,17,18)
InChIKeyHXMJZVAKQHHSLM-UHFFFAOYSA-N
XLogP0.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione 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-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-[6-(2-oxo-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 167474963
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 167474741
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113430
tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
CID 172569961
tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 174216532
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755

Frequently Asked Questions

What is the IUPAC name of 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione (CID 166113376) is 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCC3)nc2)C(=O)N1.
What is the InChIKey of 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is HXMJZVAKQHHSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-5-3-10(13(18)15-12)9-2-4-11(14-8-9)16-6-1-7-16/h2,4,8,10H,1,3,5-7H2,(H,15,17,18).
What are the key properties of 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione?
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 245.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166113376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).