3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C20H25N3O3 — CID 163355113

IUPAC3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1CC(CN2C(=O)NC3(CCCC3)C2=O)CN1CCc1ccccc1
InChIInChI=1S/C20H25N3O3/c24-17-12-16(13-22(17)11-8-15-6-2-1-3-7-15)14-23-18(25)20(21-19(23)26)9-4-5-10-20/h1-3,6-7,16H,4-5,8-14H2,(H,21,26)
InChIKeyGIQUQDUOFPFYJD-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.94
Rot. Bonds5

About 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 163355113) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID163355113
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1CC(CN2C(=O)NC3(CCCC3)C2=O)CN1CCc1ccccc1
InChIInChI=1S/C20H25N3O3/c24-17-12-16(13-22(17)11-8-15-6-2-1-3-7-15)14-23-18(25)20(21-19(23)26)9-4-5-10-20/h1-3,6-7,16H,4-5,8-14H2,(H,21,26)
InChIKeyGIQUQDUOFPFYJD-UHFFFAOYSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 175648066
3-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 172905886
3-[[1-[(3-ethoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 171337760
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
3-[[1-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 163355105
(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
CID 9460381
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
CID 83645468
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7480002

Frequently Asked Questions

What is the IUPAC name of 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 163355113) is 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1CC(CN2C(=O)NC3(CCCC3)C2=O)CN1CCc1ccccc1.
What is the InChIKey of 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GIQUQDUOFPFYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-17-12-16(13-22(17)11-8-15-6-2-1-3-7-15)14-23-18(25)20(21-19(23)26)9-4-5-10-20/h1-3,6-7,16H,4-5,8-14H2,(H,21,26).
What are the key properties of 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 355.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 163355113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).