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

C17H29N3O3 — CID 124821325

IUPAC(5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O
InChIInChI=1S/C17H29N3O3/c1-11(2)9-17(5)15(22)19(16(23)18-17)10-14(21)20-12(3)7-6-8-13(20)4/h11-13H,6-10H2,1-5H3,(H,18,23)/t12-,13-,17+/m1/s1
InChIKeyFLBKRIBHFCBROT-XNJGSVPQSA-N
MW323.44 g/mol
LogP2.13
Rot. Bonds4

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

(5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 124821325) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID124821325
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O
InChIInChI=1S/C17H29N3O3/c1-11(2)9-17(5)15(22)19(16(23)18-17)10-14(21)20-12(3)7-6-8-13(20)4/h11-13H,6-10H2,1-5H3,(H,18,23)/t12-,13-,17+/m1/s1
InChIKeyFLBKRIBHFCBROT-XNJGSVPQSA-N
XLogP2.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.13
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

3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138847
N-cyclohexyl-N-ethyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138912
(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,6R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11892777
3-(cyclohexylmethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 112774076
(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7240449
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
(5R)-5-(2,4-dichlorophenyl)-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2703074
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138877
(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-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2711199
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 124821325) is (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O.
What is the InChIKey of (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is FLBKRIBHFCBROT-XNJGSVPQSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-11(2)9-17(5)15(22)19(16(23)18-17)10-14(21)20-12(3)7-6-8-13(20)4/h11-13H,6-10H2,1-5H3,(H,18,23)/t12-,13-,17+/m1/s1.
What are the key properties of (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 323.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 124821325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).