3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one

C14H26N2O3 — CID 91921991

IUPAC3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
SMILESCOCCC(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C14H26N2O3/c1-18-8-3-13(17)16-9-12(10-19-2)14(11-16)4-6-15-7-5-14/h12,15H,3-11H2,1-2H3
InChIKeyFVKLLZTWJVRKQT-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.50
Rot. Bonds5

About 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one

3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 91921991) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID91921991
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
SMILESCOCCC(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C14H26N2O3/c1-18-8-3-13(17)16-9-12(10-19-2)14(11-16)4-6-15-7-5-14/h12,15H,3-11H2,1-2H3
InChIKeyFVKLLZTWJVRKQT-UHFFFAOYSA-N
XLogP0.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one (CID 91921991) is 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one is COCCC(=O)N1CC(COC)C2(CCNCC2)C1.
What is the InChIKey of 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is FVKLLZTWJVRKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-8-3-13(17)16-9-12(10-19-2)14(11-16)4-6-15-7-5-14/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one?
3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 91921991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).