8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C17H22N2O3 — CID 72933208

IUPAC8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(C(=O)CO)CC2
InChIInChI=1S/C17H22N2O3/c1-18-16(22)14(13-5-3-2-4-6-13)11-17(18)7-9-19(10-8-17)15(21)12-20/h2-6,14,20H,7-12H2,1H3
InChIKeyOMIOJAICDKBVFR-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.99
Rot. Bonds2

About 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72933208) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72933208
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(C(=O)CO)CC2
InChIInChI=1S/C17H22N2O3/c1-18-16(22)14(13-5-3-2-4-6-13)11-17(18)7-9-19(10-8-17)15(21)12-20/h2-6,14,20H,7-12H2,1H3
InChIKeyOMIOJAICDKBVFR-UHFFFAOYSA-N
XLogP0.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72933208) is 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C(c2ccccc2)CC12CCN(C(=O)CO)CC2.
What is the InChIKey of 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OMIOJAICDKBVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-16(22)14(13-5-3-2-4-6-13)11-17(18)7-9-19(10-8-17)15(21)12-20/h2-6,14,20H,7-12H2,1H3.
What are the key properties of 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 302.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72933208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).