1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone

C20H30N2O3 — CID 131660815

IUPAC1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)COc1ccc(C)cc1)CC2
InChIInChI=1S/C20H30N2O3/c1-16-4-6-18(7-5-16)25-14-19(23)22-10-8-20(9-11-22)15-21(2)12-17(20)13-24-3/h4-7,17H,8-15H2,1-3H3
InChIKeyGMMNICHVWZRXJU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.19
Rot. Bonds5

About 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone

1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 131660815) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
PubChem CID131660815
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)COc1ccc(C)cc1)CC2
InChIInChI=1S/C20H30N2O3/c1-16-4-6-18(7-5-16)25-14-19(23)22-10-8-20(9-11-22)15-21(2)12-17(20)13-24-3/h4-7,17H,8-15H2,1-3H3
InChIKeyGMMNICHVWZRXJU-UHFFFAOYSA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(4-methylphenoxy)ethanone
CID 171907543
(3,5-dimethylphenyl)-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 91922040
2-(4-chlorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91922038
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131658692
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(3-methoxyphenyl)propan-1-one
CID 91910519
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
1-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 131678283
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 91922310
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone (CID 131660815) is 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone is COCC1CN(C)CC12CCN(C(=O)COc1ccc(C)cc1)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is GMMNICHVWZRXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-4-6-18(7-5-16)25-14-19(23)22-10-8-20(9-11-22)15-21(2)12-17(20)13-24-3/h4-7,17H,8-15H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.19, 5 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]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 131660815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).