(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C20H27N3O3 — CID 41012964

IUPAC(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C20H27N3O3/c1-15-8-6-7-13-22(15)17(24)14-23-18(25)20(2,21-19(23)26)12-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,21,26)/t15-,20-/m0/s1
InChIKeyUPOXYWPIKFKGMH-YWZLYKJASA-N
MW357.45 g/mol
LogP2.33
Rot. Bonds5

About (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 41012964) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID41012964
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C20H27N3O3/c1-15-8-6-7-13-22(15)17(24)14-23-18(25)20(2,21-19(23)26)12-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,21,26)/t15-,20-/m0/s1
InChIKeyUPOXYWPIKFKGMH-YWZLYKJASA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.33
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

(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 17441468
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 8659755
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288588
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055
(5S)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 41012964) is (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is UPOXYWPIKFKGMH-YWZLYKJASA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-8-6-7-13-22(15)17(24)14-23-18(25)20(2,21-19(23)26)12-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,21,26)/t15-,20-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41012964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).