1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C21H38N2O2 — CID 135115085

IUPAC1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)CC1CC(C)(C)NC(C)(C)C1)C2
InChIInChI=1S/C21H38N2O2/c1-19(2)13-16(14-20(3,4)22-19)12-18(24)23-11-7-10-21(15-23)9-6-8-17(21)25-5/h16-17,22H,6-15H2,1-5H3/t17-,21+/m1/s1
InChIKeyTWYWWEKNESSGHZ-UTKZUKDTSA-N
MW350.55 g/mol
LogP3.74
Rot. Bonds3

About 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 135115085) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID135115085
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)CC1CC(C)(C)NC(C)(C)C1)C2
InChIInChI=1S/C21H38N2O2/c1-19(2)13-16(14-20(3,4)22-19)12-18(24)23-11-7-10-21(15-23)9-6-8-17(21)25-5/h16-17,22H,6-15H2,1-5H3/t17-,21+/m1/s1
InChIKeyTWYWWEKNESSGHZ-UTKZUKDTSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 154917926
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 135100752
formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 154917887
cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135106446
2-amino-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methylpropan-1-one
CID 135118897
1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 131918733
5-[2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 164695394
2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164698084
2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
CID 135108988
1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135105492
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 164693700
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164690189

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 135115085) is 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CO[C@@H]1CCC[C@@]12CCCN(C(=O)CC1CC(C)(C)NC(C)(C)C1)C2.
What is the InChIKey of 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is TWYWWEKNESSGHZ-UTKZUKDTSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-19(2)13-16(14-20(3,4)22-19)12-18(24)23-11-7-10-21(15-23)9-6-8-17(21)25-5/h16-17,22H,6-15H2,1-5H3/t17-,21+/m1/s1.
What are the key properties of 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 135115085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).