2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one

C16H30N2O2 — CID 126752920

IUPAC2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
SMILESCC(C)C(O)C(=O)N1CCC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)14(19)15(20)18-10-7-16(11-18)5-8-17(9-6-16)13(3)4/h12-14,19H,5-11H2,1-4H3
InChIKeyNKFPLQLDORQTBR-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.73
Rot. Bonds3

About 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one

2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one (PubChem CID 126752920) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
PubChem CID126752920
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
SMILESCC(C)C(O)C(=O)N1CCC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)14(19)15(20)18-10-7-16(11-18)5-8-17(9-6-16)13(3)4/h12-14,19H,5-11H2,1-4H3
InChIKeyNKFPLQLDORQTBR-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one?
The IUPAC name of 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one (CID 126752920) is 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one is CC(C)C(O)C(=O)N1CCC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one?
The InChIKey is NKFPLQLDORQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)14(19)15(20)18-10-7-16(11-18)5-8-17(9-6-16)13(3)4/h12-14,19H,5-11H2,1-4H3.
What are the key properties of 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one?
2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one is sourced from PubChem (CID 126752920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).