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

C19H24ClN3O3 — CID 7240449

IUPAC(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H24ClN3O3/c1-12-5-4-6-13(2)23(12)16(24)11-22-17(25)19(3,21-18(22)26)14-7-9-15(20)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,26)/t12-,13-,19-/m1/s1
InChIKeyZRRYXGGCKYHXBK-VLXJIEOASA-N
MW377.87 g/mol
LogP2.90
Rot. Bonds3

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

(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7240449) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7240449
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H24ClN3O3/c1-12-5-4-6-13(2)23(12)16(24)11-22-17(25)19(3,21-18(22)26)14-7-9-15(20)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,26)/t12-,13-,19-/m1/s1
InChIKeyZRRYXGGCKYHXBK-VLXJIEOASA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.90
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-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802502
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
(5R)-5-(2,4-dichlorophenyl)-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2703074
(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 124719940
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2705918
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 2577259
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
5-(4-chlorophenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 17445039
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 2705958
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 7240449) is (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZRRYXGGCKYHXBK-VLXJIEOASA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12-5-4-6-13(2)23(12)16(24)11-22-17(25)19(3,21-18(22)26)14-7-9-15(20)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,26)/t12-,13-,19-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 377.87 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7240449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).