1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one

C20H30N2O2 — CID 124814884

IUPAC1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
SMILESCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)CCc1ccccc1C)C2
InChIInChI=1S/C20H30N2O2/c1-16-6-4-5-7-18(16)8-9-19(23)22-14-20(15-22)12-17(13-24-3)10-11-21(20)2/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1
InChIKeyCXEKLAFKNKKQFL-QGZVFWFLSA-N
MW330.47 g/mol
LogP2.50
Rot. Bonds5

About 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one

1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 124814884) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID124814884
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
SMILESCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)CCc1ccccc1C)C2
InChIInChI=1S/C20H30N2O2/c1-16-6-4-5-7-18(16)8-9-19(23)22-14-20(15-22)12-17(13-24-3)10-11-21(20)2/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1
InChIKeyCXEKLAFKNKKQFL-QGZVFWFLSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155847913
3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 124818818
1-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]butan-1-one
CID 131671710
1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
CID 133143306
2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155842720
cyclopenten-1-yl-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131648301
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 82015841
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
1-(4-chloro-3-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114683007
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075

Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one (CID 124814884) is 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one is COC[C@@H]1CCN(C)C2(C1)CN(C(=O)CCc1ccccc1C)C2.
What is the InChIKey of 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is CXEKLAFKNKKQFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-6-4-5-7-18(16)8-9-19(23)22-14-20(15-22)12-17(13-24-3)10-11-21(20)2/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one?
1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 124814884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).