1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione

C15H18N4O5 — CID 110146704

IUPAC1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
SMILESCc1ncoc1C(=O)N1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1
InChIInChI=1S/C15H18N4O5/c1-9-12(24-8-16-9)13(21)18-5-3-10(15(2,23)7-18)19-6-4-11(20)17-14(19)22/h4,6,8,10,23H,3,5,7H2,1-2H3,(H,17,20,22)/t10-,15-/m1/s1
InChIKeyQUQHSNQDKCAJOH-MEBBXXQBSA-N
MW334.33 g/mol
LogP-0.33
Rot. Bonds2

About 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione

1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione (PubChem CID 110146704) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
PubChem CID110146704
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
SMILESCc1ncoc1C(=O)N1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1
InChIInChI=1S/C15H18N4O5/c1-9-12(24-8-16-9)13(21)18-5-3-10(15(2,23)7-18)19-6-4-11(20)17-14(19)22/h4,6,8,10,23H,3,5,7H2,1-2H3,(H,17,20,22)/t10-,15-/m1/s1
InChIKeyQUQHSNQDKCAJOH-MEBBXXQBSA-N
XLogP-0.33
TPSA121.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione (CID 110146704) is 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione is Cc1ncoc1C(=O)N1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
The InChIKey is QUQHSNQDKCAJOH-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-9-12(24-8-16-9)13(21)18-5-3-10(15(2,23)7-18)19-6-4-11(20)17-14(19)22/h4,6,8,10,23H,3,5,7H2,1-2H3,(H,17,20,22)/t10-,15-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione has a molecular weight of 334.33 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).