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

C16H26N4O3 — CID 110146508

IUPAC1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione
SMILESCN1CCC(N2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)CC1
InChIInChI=1S/C16H26N4O3/c1-16(23)11-19(12-3-7-18(2)8-4-12)9-5-13(16)20-10-6-14(21)17-15(20)22/h6,10,12-13,23H,3-5,7-9,11H2,1-2H3,(H,17,21,22)/t13-,16-/m1/s1
InChIKeyXRDGZHWHRYQFQM-CZUORRHYSA-N
MW322.41 g/mol
LogP-0.37
Rot. Bonds2

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

1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione (PubChem CID 110146508) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione
PubChem CID110146508
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione
SMILESCN1CCC(N2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)CC1
InChIInChI=1S/C16H26N4O3/c1-16(23)11-19(12-3-7-18(2)8-4-12)9-5-13(16)20-10-6-14(21)17-15(20)22/h6,10,12-13,23H,3-5,7-9,11H2,1-2H3,(H,17,21,22)/t13-,16-/m1/s1
InChIKeyXRDGZHWHRYQFQM-CZUORRHYSA-N
XLogP-0.37
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146643
1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
CID 110146438
4-[[(3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-3-methylpiperidin-1-yl]methyl]benzoic acid
CID 110147020
1-[(3R,4R)-3-hydroxy-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
CID 110146331
1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
CID 110146558
1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146704
1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
CID 110147026
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
CID 110146679
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
CID 89495296

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione (CID 110146508) is 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione is CN1CCC(N2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)CC1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione?
The InChIKey is XRDGZHWHRYQFQM-CZUORRHYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(23)11-19(12-3-7-18(2)8-4-12)9-5-13(16)20-10-6-14(21)17-15(20)22/h6,10,12-13,23H,3-5,7-9,11H2,1-2H3,(H,17,21,22)/t13-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).