(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C20H27N3O3 — CID 25362720

IUPAC(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O
InChIInChI=1S/C20H27N3O3/c1-14-7-6-8-15(2)23(14)18(24)13-22-19(25)17(21-20(22)26)12-11-16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,21,26)/t14-,15+,17-/m0/s1
InChIKeyNYUNTTJDBRUQAI-UXLLHSPISA-N
MW357.45 g/mol
LogP2.33
Rot. Bonds5

About (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 25362720) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID25362720
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O
InChIInChI=1S/C20H27N3O3/c1-14-7-6-8-15(2)23(14)18(24)13-22-19(25)17(21-20(22)26)12-11-16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,21,26)/t14-,15+,17-/m0/s1
InChIKeyNYUNTTJDBRUQAI-UXLLHSPISA-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)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42898324
(5R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8012893
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 124867040
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 47117412
3-[2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45353619
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2463070
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 25362720) is (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is NYUNTTJDBRUQAI-UXLLHSPISA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-7-6-8-15(2)23(14)18(24)13-22-19(25)17(21-20(22)26)12-11-16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,21,26)/t14-,15+,17-/m0/s1.
What are the key properties of (5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-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)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 25362720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).