methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate

C22H33N3O3 — CID 118666317

IUPACmethyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC2(CCC(c3ccccn3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C22H33N3O3/c1-20(2,19(27)28-5)15-25-16-21(14-18(25)26)9-11-22(12-10-21,24(3)4)17-8-6-7-13-23-17/h6-8,13H,9-12,14-16H2,1-5H3
InChIKeySCMZGBKRLUCMKF-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.83
Rot. Bonds5

About methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate

methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate (PubChem CID 118666317) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate
PubChem CID118666317
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Namemethyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CC2(CCC(c3ccccn3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C22H33N3O3/c1-20(2,19(27)28-5)15-25-16-21(14-18(25)26)9-11-22(12-10-21,24(3)4)17-8-6-7-13-23-17/h6-8,13H,9-12,14-16H2,1-5H3
InChIKeySCMZGBKRLUCMKF-UHFFFAOYSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate with MolForge

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Related Compounds

2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386014
2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
CID 118666610
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 118666605
2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide
CID 144998258
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-pyrimidin-5-ylbutanamide;[4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-methylbutan-2-yl] formate
CID 159367064
4-[(6S)-6-(dimethylamino)-2-oxo-6-pyridin-2-ylazonan-1-yl]butanoic acid
CID 134570485
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylbutanenitrile
CID 118662229
2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386533
2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662299
2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70780066
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
8-(dimethylamino)-2-(2-methoxypropyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662081

Frequently Asked Questions

What is the IUPAC name of methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate (CID 118666317) is methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CC2(CCC(c3ccccn3)(N(C)C)CC2)CC1=O.
What is the InChIKey of methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate?
The InChIKey is SCMZGBKRLUCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-20(2,19(27)28-5)15-25-16-21(14-18(25)26)9-11-22(12-10-21,24(3)4)17-8-6-7-13-23-17/h6-8,13H,9-12,14-16H2,1-5H3.
What are the key properties of methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate?
methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate has a molecular weight of 387.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 118666317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).