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

C16H18N4O4 — CID 110146533

IUPAC1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(O)CCN(C(=O)c2cccnc2)C[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O4/c1-16(24)5-8-19(14(22)11-3-2-6-17-9-11)10-12(16)20-7-4-13(21)18-15(20)23/h2-4,6-7,9,12,24H,5,8,10H2,1H3,(H,18,21,23)/t12-,16-/m1/s1
InChIKeyQEDDUFHAMMFVKD-MLGOLLRUSA-N
MW330.34 g/mol
LogP-0.23
Rot. Bonds2

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

1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 110146533) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
PubChem CID110146533
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(O)CCN(C(=O)c2cccnc2)C[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O4/c1-16(24)5-8-19(14(22)11-3-2-6-17-9-11)10-12(16)20-7-4-13(21)18-15(20)23/h2-4,6-7,9,12,24H,5,8,10H2,1H3,(H,18,21,23)/t12-,16-/m1/s1
InChIKeyQEDDUFHAMMFVKD-MLGOLLRUSA-N
XLogP-0.23
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
[(3R,4S)-4-(dimethylamino)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 110124969
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
CID 110147026
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione (CID 110146533) is 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione is C[C@@]1(O)CCN(C(=O)c2cccnc2)C[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is QEDDUFHAMMFVKD-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-16(24)5-8-19(14(22)11-3-2-6-17-9-11)10-12(16)20-7-4-13(21)18-15(20)23/h2-4,6-7,9,12,24H,5,8,10H2,1H3,(H,18,21,23)/t12-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 330.34 g/mol, XLogP of -0.23, 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-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).