3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione

C16H20N4O2 — CID 166113430

IUPAC3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CC4(CCNC4)C3)nc2)C(=O)N1
InChIInChI=1S/C16H20N4O2/c21-14-4-2-12(15(22)19-14)11-1-3-13(18-7-11)20-9-16(10-20)5-6-17-8-16/h1,3,7,12,17H,2,4-6,8-10H2,(H,19,21,22)
InChIKeyKHVZWYYDNFCUOI-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.40
Rot. Bonds2

About 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione

3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166113430) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
PubChem CID166113430
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CC4(CCNC4)C3)nc2)C(=O)N1
InChIInChI=1S/C16H20N4O2/c21-14-4-2-12(15(22)19-14)11-1-3-13(18-7-11)20-9-16(10-20)5-6-17-8-16/h1,3,7,12,17H,2,4-6,8-10H2,(H,19,21,22)
InChIKeyKHVZWYYDNFCUOI-UHFFFAOYSA-N
XLogP0.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-[6-(2-oxo-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 167474963
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 174216532
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
tert-butyl 1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-4-methylpiperidine-4-carboxylate
CID 172569961
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione (CID 166113430) is 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CC4(CCNC4)C3)nc2)C(=O)N1.
What is the InChIKey of 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is KHVZWYYDNFCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-14-4-2-12(15(22)19-14)11-1-3-13(18-7-11)20-9-16(10-20)5-6-17-8-16/h1,3,7,12,17H,2,4-6,8-10H2,(H,19,21,22).
What are the key properties of 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione?
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 300.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166113430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).