(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione

C18H23N3O3 — CID 7916777

IUPAC(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
SMILESC[C@@H](C(=O)N1CCCCC1)N1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C18H23N3O3/c1-13(15(22)20-11-7-4-8-12-20)21-16(23)18(2,19-17(21)24)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,24)/t13-,18+/m0/s1
InChIKeyCDCIIGWRIKHBIC-SCLBCKFNSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds3

About (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione

(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione (PubChem CID 7916777) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
PubChem CID7916777
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
SMILESC[C@@H](C(=O)N1CCCCC1)N1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C18H23N3O3/c1-13(15(22)20-11-7-4-8-12-20)21-16(23)18(2,19-17(21)24)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,24)/t13-,18+/m0/s1
InChIKeyCDCIIGWRIKHBIC-SCLBCKFNSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
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

(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
CID 7916791
(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 41143774
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 2528049
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2461066
(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2527796
(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione
CID 2708876
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 24982612
(2-oxo-2-piperidin-1-ylethyl) 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709372
(5S)-3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9320017
1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 96578382

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione (CID 7916777) is (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione is C[C@@H](C(=O)N1CCCCC1)N1C(=O)N[C@](C)(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is CDCIIGWRIKHBIC-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(15(22)20-11-7-4-8-12-20)21-16(23)18(2,19-17(21)24)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,24)/t13-,18+/m0/s1.
What are the key properties of (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7916777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).