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

C19H27ClN2O2 — CID 124818818

IUPAC3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCOC[C@H]1CCN(C)C2(C1)CN(C(=O)CCc1ccccc1Cl)C2
InChIInChI=1S/C19H27ClN2O2/c1-21-10-9-15(12-24-2)11-19(21)13-22(14-19)18(23)8-7-16-5-3-4-6-17(16)20/h3-6,15H,7-14H2,1-2H3/t15-/m0/s1
InChIKeyORGPUHBYNLRVQM-HNNXBMFYSA-N
MW350.89 g/mol
LogP2.84
Rot. Bonds5

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

3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one (PubChem CID 124818818) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one
PubChem CID124818818
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCOC[C@H]1CCN(C)C2(C1)CN(C(=O)CCc1ccccc1Cl)C2
InChIInChI=1S/C19H27ClN2O2/c1-21-10-9-15(12-24-2)11-19(21)13-22(14-19)18(23)8-7-16-5-3-4-6-17(16)20/h3-6,15H,7-14H2,1-2H3/t15-/m0/s1
InChIKeyORGPUHBYNLRVQM-HNNXBMFYSA-N
XLogP2.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]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

Related Compounds

1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
CID 124814884
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
1-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]butan-1-one
CID 131671710
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155842720
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
3-(2-chlorophenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97476919
cyclopenten-1-yl-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131648301
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124821881

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one (CID 124818818) is 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one is COC[C@H]1CCN(C)C2(C1)CN(C(=O)CCc1ccccc1Cl)C2.
What is the InChIKey of 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The InChIKey is ORGPUHBYNLRVQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-21-10-9-15(12-24-2)11-19(21)13-22(14-19)18(23)8-7-16-5-3-4-6-17(16)20/h3-6,15H,7-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one?
3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one has a molecular weight of 350.89 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one is sourced from PubChem (CID 124818818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).