1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone

C19H28N2O2 — CID 124816450

IUPAC1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC3(CC[C@H](CN(C)C)CO3)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-15-4-6-16(7-5-15)10-18(22)21-13-19(14-21)9-8-17(12-23-19)11-20(2)3/h4-7,17H,8-14H2,1-3H3/t17-/m1/s1
InChIKeyLIKDZPIPYNMGHD-QGZVFWFLSA-N
MW316.44 g/mol
LogP2.11
Rot. Bonds4

About 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone

1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone (PubChem CID 124816450) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
PubChem CID124816450
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC3(CC[C@H](CN(C)C)CO3)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-15-4-6-16(7-5-15)10-18(22)21-13-19(14-21)9-8-17(12-23-19)11-20(2)3/h4-7,17H,8-14H2,1-3H3/t17-/m1/s1
InChIKeyLIKDZPIPYNMGHD-QGZVFWFLSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone with MolForge

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Related Compounds

1-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-fluorophenyl)ethanone
CID 131648399
1-adamantyl-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131693529
N,N-dimethyl-1-[2-[(4-methylsulfonylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methanamine
CID 131659694
2-(3,4-dihydro-2H-chromen-6-yl)-1-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131692520
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
2-(4-fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155852672
2-(3,4-dihydro-2H-chromen-6-yl)-1-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862593
1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
CID 131648468
[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 124788943
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone (CID 124816450) is 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CC3(CC[C@H](CN(C)C)CO3)C2)cc1.
What is the InChIKey of 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is LIKDZPIPYNMGHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-4-6-16(7-5-15)10-18(22)21-13-19(14-21)9-8-17(12-23-19)11-20(2)3/h4-7,17H,8-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone?
1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 316.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 124816450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).