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

C21H32N2O3 — CID 91922060

IUPAC1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOCC1CN(C)CC12CCN(C(=O)CCc1ccccc1OC)CC2
InChIInChI=1S/C21H32N2O3/c1-22-14-18(15-25-2)21(16-22)10-12-23(13-11-21)20(24)9-8-17-6-4-5-7-19(17)26-3/h4-7,18H,8-16H2,1-3H3
InChIKeyQZOKUMXFXHNAAD-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.44
Rot. Bonds6

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

1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 91922060) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID91922060
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOCC1CN(C)CC12CCN(C(=O)CCc1ccccc1OC)CC2
InChIInChI=1S/C21H32N2O3/c1-22-14-18(15-25-2)21(16-22)10-12-23(13-11-21)20(24)9-8-17-6-4-5-7-19(17)26-3/h4-7,18H,8-16H2,1-3H3
InChIKeyQZOKUMXFXHNAAD-UHFFFAOYSA-N
XLogP2.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)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 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one (CID 91922060) is 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one is COCC1CN(C)CC12CCN(C(=O)CCc1ccccc1OC)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is QZOKUMXFXHNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-22-14-18(15-25-2)21(16-22)10-12-23(13-11-21)20(24)9-8-17-6-4-5-7-19(17)26-3/h4-7,18H,8-16H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 91922060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).