(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

C19H27N3O3 — CID 129462010

IUPAC(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccccc1[C@H](O)CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C19H27N3O3/c1-13-7-4-5-9-15(13)16(23)12-22-10-6-8-14(11-22)19(2)17(24)21(3)18(25)20-19/h4-5,7,9,14,16,23H,6,8,10-12H2,1-3H3,(H,20,25)/t14-,16-,19+/m1/s1
InChIKeyUHVSKAXJCNJHQC-OGWOLHLISA-N
MW345.44 g/mol
LogP1.68
Rot. Bonds4

About (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 129462010) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
PubChem CID129462010
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccccc1[C@H](O)CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1
InChIInChI=1S/C19H27N3O3/c1-13-7-4-5-9-15(13)16(23)12-22-10-6-8-14(11-22)19(2)17(24)21(3)18(25)20-19/h4-5,7,9,14,16,23H,6,8,10-12H2,1-3H3,(H,20,25)/t14-,16-,19+/m1/s1
InChIKeyUHVSKAXJCNJHQC-OGWOLHLISA-N
XLogP1.68
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (CID 129462010) is (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is Cc1ccccc1[C@H](O)CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1.
What is the InChIKey of (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UHVSKAXJCNJHQC-OGWOLHLISA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-7-4-5-9-15(13)16(23)12-22-10-6-8-14(11-22)19(2)17(24)21(3)18(25)20-19/h4-5,7,9,14,16,23H,6,8,10-12H2,1-3H3,(H,20,25)/t14-,16-,19+/m1/s1.
What are the key properties of (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 129462010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).