1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone

C22H32N2O2 — CID 91922207

IUPAC1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c1-26-16-19-15-24(20-8-5-9-20)17-22(19)10-12-23(13-11-22)21(25)14-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3
InChIKeyGWDFGCXIGKSCNH-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.97
Rot. Bonds5

About 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone

1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone (PubChem CID 91922207) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
PubChem CID91922207
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c1-26-16-19-15-24(20-8-5-9-20)17-22(19)10-12-23(13-11-22)21(25)14-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3
InChIKeyGWDFGCXIGKSCNH-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922221
2-(4-chlorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91922038
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
CID 91922183
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91922195
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131658692
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethanone
CID 110867856
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760
2-methoxy-1-[4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 133135692
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(3-methoxyphenyl)propan-1-one
CID 91910519

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone (CID 91922207) is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone is COCC1CN(C2CCC2)CC12CCN(C(=O)Cc1ccccc1)CC2.
What is the InChIKey of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The InChIKey is GWDFGCXIGKSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-26-16-19-15-24(20-8-5-9-20)17-22(19)10-12-23(13-11-22)21(25)14-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3.
What are the key properties of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone has a molecular weight of 356.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone is sourced from PubChem (CID 91922207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).