3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione

C18H23N3O2 — CID 170979872

IUPAC3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CC4(CCNCC4)C3)c2)C(=O)N1
InChIInChI=1S/C18H23N3O2/c22-16-5-4-15(17(23)20-16)13-2-1-3-14(10-13)21-11-18(12-21)6-8-19-9-7-18/h1-3,10,15,19H,4-9,11-12H2,(H,20,22,23)
InChIKeySUGGCNWOKYEQND-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.40
Rot. Bonds2

About 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione

3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione (PubChem CID 170979872) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
PubChem CID170979872
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CC4(CCNCC4)C3)c2)C(=O)N1
InChIInChI=1S/C18H23N3O2/c22-16-5-4-15(17(23)20-16)13-2-1-3-14(10-13)21-11-18(12-21)6-8-19-9-7-18/h1-3,10,15,19H,4-9,11-12H2,(H,20,22,23)
InChIKeySUGGCNWOKYEQND-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione (CID 170979872) is 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(N3CC4(CCNCC4)C3)c2)C(=O)N1.
What is the InChIKey of 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione?
The InChIKey is SUGGCNWOKYEQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16-5-4-15(17(23)20-16)13-2-1-3-14(10-13)21-11-18(12-21)6-8-19-9-7-18/h1-3,10,15,19H,4-9,11-12H2,(H,20,22,23).
What are the key properties of 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione?
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione has a molecular weight of 313.40 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170979872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).