7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one

C19H20N2O2S — CID 118739708

IUPAC7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(Cc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C19H20N2O2S/c22-17(10-15-4-2-1-3-5-15)20-8-7-19(13-20)11-18(23)21(14-19)16-6-9-24-12-16/h1-6,9,12H,7-8,10-11,13-14H2
InChIKeyHZYIQHVWKUMWNU-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.95
Rot. Bonds3

About 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118739708) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118739708
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(Cc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C19H20N2O2S/c22-17(10-15-4-2-1-3-5-15)20-8-7-19(13-20)11-18(23)21(14-19)16-6-9-24-12-16/h1-6,9,12H,7-8,10-11,13-14H2
InChIKeyHZYIQHVWKUMWNU-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide
CID 3557976
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376783
(5S,9S)-7-(3-fluorobenzoyl)-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471809
2-(3-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738800
N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739321
3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739322
2-(2-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739667
1-(2-Methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 118739701
N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739703
N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739704
1-(Cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 118743275

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 118739708) is 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(Cc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is HZYIQHVWKUMWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-17(10-15-4-2-1-3-5-15)20-8-7-19(13-20)11-18(23)21(14-19)16-6-9-24-12-16/h1-6,9,12H,7-8,10-11,13-14H2.
What are the key properties of 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 340.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118739708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).