formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C21H38N2O4 — CID 154917926

IUPACformic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)CC(C)(C)N1.O=CO
InChIInChI=1S/C20H36N2O2.CH2O2/c1-18(2)12-15(13-19(3,4)21-18)11-17(24)22-10-6-9-20(14-22)8-5-7-16(20)23;2-1-3/h15-16,21,23H,5-14H2,1-4H3;1H,(H,2,3)/t16-,20-;/m1./s1
InChIKeyRYOVCGZLFWTWHL-KYSFMIDTSA-N
MW382.55 g/mol
LogP2.79
Rot. Bonds2

About formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 154917926) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Nameformic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID154917926
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Nameformic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)CC(C)(C)N1.O=CO
InChIInChI=1S/C20H36N2O2.CH2O2/c1-18(2)12-15(13-19(3,4)21-18)11-17(24)22-10-6-9-20(14-22)8-5-7-16(20)23;2-1-3/h15-16,21,23H,5-14H2,1-4H3;1H,(H,2,3)/t16-,20-;/m1./s1
InChIKeyRYOVCGZLFWTWHL-KYSFMIDTSA-N
XLogP2.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 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) is formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)CC(C)(C)N1.O=CO.
What is the InChIKey of formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is RYOVCGZLFWTWHL-KYSFMIDTSA-N. The full InChI is InChI=1S/C20H36N2O2.CH2O2/c1-18(2)12-15(13-19(3,4)21-18)11-17(24)22-10-6-9-20(14-22)8-5-7-16(20)23;2-1-3/h15-16,21,23H,5-14H2,1-4H3;1H,(H,2,3)/t16-,20-;/m1./s1.
What are the key properties of formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 382.55 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 154917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).