3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one

C22H30N2O2 — CID 142436859

IUPAC3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESO=C1OC(CCN2CC3(C2)CN(c2ccccc2)C3)CC12CCCCC2
InChIInChI=1S/C22H30N2O2/c25-20-22(10-5-2-6-11-22)13-19(26-20)9-12-23-14-21(15-23)16-24(17-21)18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2
InChIKeyNAGYJALPUMNLDF-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.46
Rot. Bonds4

About 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one

3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one (PubChem CID 142436859) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
PubChem CID142436859
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESO=C1OC(CCN2CC3(C2)CN(c2ccccc2)C3)CC12CCCCC2
InChIInChI=1S/C22H30N2O2/c25-20-22(10-5-2-6-11-22)13-19(26-20)9-12-23-14-21(15-23)16-24(17-21)18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2
InChIKeyNAGYJALPUMNLDF-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one (CID 142436859) is 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one is O=C1OC(CCN2CC3(C2)CN(c2ccccc2)C3)CC12CCCCC2.
What is the InChIKey of 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one?
The InChIKey is NAGYJALPUMNLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-20-22(10-5-2-6-11-22)13-19(26-20)9-12-23-14-21(15-23)16-24(17-21)18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2.
What are the key properties of 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one?
3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one has a molecular weight of 354.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 142436859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).