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

C22H31N3O3 — CID 7802502

IUPAC(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3[C@H](C)CCC[C@@H]3C)C2=O)cc1
InChIInChI=1S/C22H31N3O3/c1-14(2)17-9-11-18(12-10-17)22(5)20(27)24(21(28)23-22)13-19(26)25-15(3)7-6-8-16(25)4/h9-12,14-16H,6-8,13H2,1-5H3,(H,23,28)/t15-,16+,22-/m1/s1
InChIKeyYSHYPRZMLZKSSI-ZMPRRUGASA-N
MW385.51 g/mol
LogP3.37
Rot. Bonds4

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

(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 7802502) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID7802502
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3[C@H](C)CCC[C@@H]3C)C2=O)cc1
InChIInChI=1S/C22H31N3O3/c1-14(2)17-9-11-18(12-10-17)22(5)20(27)24(21(28)23-22)13-19(26)25-15(3)7-6-8-16(25)4/h9-12,14-16H,6-8,13H2,1-5H3,(H,23,28)/t15-,16+,22-/m1/s1
InChIKeyYSHYPRZMLZKSSI-ZMPRRUGASA-N
XLogP3.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.37
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-methylimidazolidine-2,4-dione
CID 7240449
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 43071602
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
(5R)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802517
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625386
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 124723066
N-(cyclohexylmethyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40706070
(5S)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802480
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802553
(5R)-5-(2,4-dichlorophenyl)-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2703074

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (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) is (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3[C@H](C)CCC[C@@H]3C)C2=O)cc1.
What is the InChIKey of (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is YSHYPRZMLZKSSI-ZMPRRUGASA-N. The full InChI is InChI=1S/C22H31N3O3/c1-14(2)17-9-11-18(12-10-17)22(5)20(27)24(21(28)23-22)13-19(26)25-15(3)7-6-8-16(25)4/h9-12,14-16H,6-8,13H2,1-5H3,(H,23,28)/t15-,16+,22-/m1/s1.
What are the key properties of (5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 385.51 g/mol, XLogP of 3.37, 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,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7802502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).