3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione

C18H22N2O3 — CID 178005874

IUPAC3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CC4(CC(CO)C4)C3)cc2)C(=O)N1
InChIInChI=1S/C18H22N2O3/c21-9-12-7-18(8-12)10-20(11-18)14-3-1-13(2-4-14)15-5-6-16(22)19-17(15)23/h1-4,12,15,21H,5-11H2,(H,19,22,23)
InChIKeyIAGWKCOCPNCZSQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.42
Rot. Bonds3

About 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione

3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione (PubChem CID 178005874) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
PubChem CID178005874
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CC4(CC(CO)C4)C3)cc2)C(=O)N1
InChIInChI=1S/C18H22N2O3/c21-9-12-7-18(8-12)10-20(11-18)14-3-1-13(2-4-14)15-5-6-16(22)19-17(15)23/h1-4,12,15,21H,5-11H2,(H,19,22,23)
InChIKeyIAGWKCOCPNCZSQ-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione (CID 178005874) is 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CC4(CC(CO)C4)C3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione?
The InChIKey is IAGWKCOCPNCZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-9-12-7-18(8-12)10-20(11-18)14-3-1-13(2-4-14)15-5-6-16(22)19-17(15)23/h1-4,12,15,21H,5-11H2,(H,19,22,23).
What are the key properties of 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione?
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione has a molecular weight of 314.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178005874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).