4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione

C15H23NO5 — CID 163007342

IUPAC4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione
SMILESC[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1O
InChIInChI=1S/C15H23NO5/c1-7-3-10(15(21)8(2)14(7)20)11(17)4-9-5-12(18)16-13(19)6-9/h7-11,14,17,20H,3-6H2,1-2H3,(H,16,18,19)/t7-,8+,10+,11-,14?/m1/s1
InChIKeyJZQFWTNEUBVJCY-VWAKLNLZSA-N
MW297.35 g/mol
LogP0.01
Rot. Bonds3

About 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione

4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione (PubChem CID 163007342) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione
PubChem CID163007342
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione
SMILESC[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1O
InChIInChI=1S/C15H23NO5/c1-7-3-10(15(21)8(2)14(7)20)11(17)4-9-5-12(18)16-13(19)6-9/h7-11,14,17,20H,3-6H2,1-2H3,(H,16,18,19)/t7-,8+,10+,11-,14?/m1/s1
InChIKeyJZQFWTNEUBVJCY-VWAKLNLZSA-N
XLogP0.01
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione?
The IUPAC name of 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione (CID 163007342) is 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione is C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1O.
What is the InChIKey of 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione?
The InChIKey is JZQFWTNEUBVJCY-VWAKLNLZSA-N. The full InChI is InChI=1S/C15H23NO5/c1-7-3-10(15(21)8(2)14(7)20)11(17)4-9-5-12(18)16-13(19)6-9/h7-11,14,17,20H,3-6H2,1-2H3,(H,16,18,19)/t7-,8+,10+,11-,14?/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione?
4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione has a molecular weight of 297.35 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione is sourced from PubChem (CID 163007342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).