(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C20H27N3O3 — CID 124734823

IUPAC(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O
InChIInChI=1S/C20H27N3O3/c1-4-20(16-11-6-5-7-12-16)18(25)22(19(26)21-20)13-17(24)23-14(2)9-8-10-15(23)3/h5-7,11-12,14-15H,4,8-10,13H2,1-3H3,(H,21,26)/t14-,15-,20-/m1/s1
InChIKeyMTZZAIZMEOLMDX-STXHMFSFSA-N
MW357.45 g/mol
LogP2.63
Rot. Bonds4

About (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 124734823) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID124734823
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O
InChIInChI=1S/C20H27N3O3/c1-4-20(16-11-6-5-7-12-16)18(25)22(19(26)21-20)13-17(24)23-14(2)9-8-10-15(23)3/h5-7,11-12,14-15H,4,8-10,13H2,1-3H3,(H,21,26)/t14-,15-,20-/m1/s1
InChIKeyMTZZAIZMEOLMDX-STXHMFSFSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.63
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-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 124719940
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
N-cyclohexyl-N-ethyl-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242783
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11892072
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892071
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 17402356
(5S)-5-ethyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7531488
N-[cyclopropyl(phenyl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 51295946
N-(cyclohexylcarbamoyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179462
(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
CID 8891183

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 124734823) is (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O.
What is the InChIKey of (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is MTZZAIZMEOLMDX-STXHMFSFSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-20(16-11-6-5-7-12-16)18(25)22(19(26)21-20)13-17(24)23-14(2)9-8-10-15(23)3/h5-7,11-12,14-15H,4,8-10,13H2,1-3H3,(H,21,26)/t14-,15-,20-/m1/s1.
What are the key properties of (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 124734823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).