1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione

C15H23N3O4 — CID 110146358

IUPAC1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(O)CCN(C2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-15(21)5-7-17(11-3-8-22-9-4-11)10-12(15)18-6-2-13(19)16-14(18)20/h2,6,11-12,21H,3-5,7-10H2,1H3,(H,16,19,20)/t12-,15-/m1/s1
InChIKeyPVZUAEJOXPVRBQ-IUODEOHRSA-N
MW309.37 g/mol
LogP-0.29
Rot. Bonds2

About 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione

1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 110146358) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione
PubChem CID110146358
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(O)CCN(C2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-15(21)5-7-17(11-3-8-22-9-4-11)10-12(15)18-6-2-13(19)16-14(18)20/h2,6,11-12,21H,3-5,7-10H2,1H3,(H,16,19,20)/t12-,15-/m1/s1
InChIKeyPVZUAEJOXPVRBQ-IUODEOHRSA-N
XLogP-0.29
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione (CID 110146358) is 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione is C[C@@]1(O)CCN(C2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is PVZUAEJOXPVRBQ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(21)5-7-17(11-3-8-22-9-4-11)10-12(15)18-6-2-13(19)16-14(18)20/h2,6,11-12,21H,3-5,7-10H2,1H3,(H,16,19,20)/t12-,15-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(oxan-4-yl)piperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).