2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H24N2O3 — CID 119069763

IUPAC2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CO)N1CCC2(CCCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C18H24N2O3/c21-13-16(22)20-12-9-18(14-20)8-4-10-19(17(18)23)11-7-15-5-2-1-3-6-15/h1-3,5-6,21H,4,7-14H2
InChIKeyYNHWYUGULPZKAC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.06
Rot. Bonds4

About 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119069763) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID119069763
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CO)N1CCC2(CCCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C18H24N2O3/c21-13-16(22)20-12-9-18(14-20)8-4-10-19(17(18)23)11-7-15-5-2-1-3-6-15/h1-3,5-6,21H,4,7-14H2
InChIKeyYNHWYUGULPZKAC-UHFFFAOYSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126446329
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
2-(furan-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45188525
2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45181888
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117487
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 119069763) is 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CO)N1CCC2(CCCN(CCc3ccccc3)C2=O)C1.
What is the InChIKey of 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YNHWYUGULPZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-13-16(22)20-12-9-18(14-20)8-4-10-19(17(18)23)11-7-15-5-2-1-3-6-15/h1-3,5-6,21H,4,7-14H2.
What are the key properties of 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 316.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119069763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).