3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione

C18H22N2O5 — CID 172616793

IUPAC3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
SMILESO=C1CCC(Oc2ccc(N3CCC4(CC3)OCCO4)cc2)C(=O)N1
InChIInChI=1S/C18H22N2O5/c21-16-6-5-15(17(22)19-16)25-14-3-1-13(2-4-14)20-9-7-18(8-10-20)23-11-12-24-18/h1-4,15H,5-12H2,(H,19,21,22)
InChIKeyNRISIHYSNBGFGO-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.21
Rot. Bonds3

About 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione

3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione (PubChem CID 172616793) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
PubChem CID172616793
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
SMILESO=C1CCC(Oc2ccc(N3CCC4(CC3)OCCO4)cc2)C(=O)N1
InChIInChI=1S/C18H22N2O5/c21-16-6-5-15(17(22)19-16)25-14-3-1-13(2-4-14)20-9-7-18(8-10-20)23-11-12-24-18/h1-4,15H,5-12H2,(H,19,21,22)
InChIKeyNRISIHYSNBGFGO-UHFFFAOYSA-N
XLogP1.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione (CID 172616793) is 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione is O=C1CCC(Oc2ccc(N3CCC4(CC3)OCCO4)cc2)C(=O)N1.
What is the InChIKey of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione?
The InChIKey is NRISIHYSNBGFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-16-6-5-15(17(22)19-16)25-14-3-1-13(2-4-14)20-9-7-18(8-10-20)23-11-12-24-18/h1-4,15H,5-12H2,(H,19,21,22).
What are the key properties of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione?
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione has a molecular weight of 346.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 172616793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).