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

C15H19N5O4 — CID 110146643

IUPAC1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
SMILESCn1nccc1C(=O)N1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1
InChIInChI=1S/C15H19N5O4/c1-15(24)9-19(13(22)10-3-6-16-18(10)2)7-4-11(15)20-8-5-12(21)17-14(20)23/h3,5-6,8,11,24H,4,7,9H2,1-2H3,(H,17,21,23)/t11-,15-/m1/s1
InChIKeyJWQQHARUXSQCTA-IAQYHMDHSA-N
MW333.35 g/mol
LogP-0.89
Rot. Bonds2

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

1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione (PubChem CID 110146643) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
PubChem CID110146643
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
SMILESCn1nccc1C(=O)N1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1
InChIInChI=1S/C15H19N5O4/c1-15(24)9-19(13(22)10-3-6-16-18(10)2)7-4-11(15)20-8-5-12(21)17-14(20)23/h3,5-6,8,11,24H,4,7,9H2,1-2H3,(H,17,21,23)/t11-,15-/m1/s1
InChIKeyJWQQHARUXSQCTA-IAQYHMDHSA-N
XLogP-0.89
TPSA113.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.89
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-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione (CID 110146643) is 1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione is Cn1nccc1C(=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-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
The InChIKey is JWQQHARUXSQCTA-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-15(24)9-19(13(22)10-3-6-16-18(10)2)7-4-11(15)20-8-5-12(21)17-14(20)23/h3,5-6,8,11,24H,4,7,9H2,1-2H3,(H,17,21,23)/t11-,15-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione has a molecular weight of 333.35 g/mol, XLogP of -0.89, 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-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).