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'}

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

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Related Compounds

4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
CID 156506164
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
CID 177362134
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363602
3-[4-[3-[4-[(E)-1-(dimethylamino)but-1-en-2-yl]benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]phenoxy]piperidine-2,6-dione
CID 170979389
3-[4-[1-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363541
3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
CID 155261508
3-[4-(3-methoxypropoxy)phenoxy]piperidine-2,6-dione
CID 167027389
3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 162725566
3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione
CID 166471884
3-(4-piperidin-3-ylphenoxy)piperidine-2,6-dione
CID 166472314
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
CID 159240821
3-[4-[1-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 171038136

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).