1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione

C16H23N5O3 — CID 110146679

IUPAC1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
SMILESCc1c(CN2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)cnn1C
InChIInChI=1S/C16H23N5O3/c1-11-12(8-17-19(11)3)9-20-7-5-16(2,24)13(10-20)21-6-4-14(22)18-15(21)23/h4,6,8,13,24H,5,7,9-10H2,1-3H3,(H,18,22,23)/t13-,16-/m1/s1
InChIKeyPVOYRQCEQCIOQI-CZUORRHYSA-N
MW333.39 g/mol
LogP-0.22
Rot. Bonds3

About 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione

1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 110146679) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
PubChem CID110146679
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
SMILESCc1c(CN2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)cnn1C
InChIInChI=1S/C16H23N5O3/c1-11-12(8-17-19(11)3)9-20-7-5-16(2,24)13(10-20)21-6-4-14(22)18-15(21)23/h4,6,8,13,24H,5,7,9-10H2,1-3H3,(H,18,22,23)/t13-,16-/m1/s1
InChIKeyPVOYRQCEQCIOQI-CZUORRHYSA-N
XLogP-0.22
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146830
1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146533
1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
CID 110146438
1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
CID 110146942
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-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
CID 110146331
N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxyazepan-4-yl]methyl]cyclopropanesulfonamide
CID 56897560
N-[(2S)-6-amino-1-[(3R,4R)-3-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methylpiperidin-1-yl]-1-oxohexan-2-yl]acetamide
CID 110154493
1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146643
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146508

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione (CID 110146679) is 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione is Cc1c(CN2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)cnn1C.
What is the InChIKey of 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is PVOYRQCEQCIOQI-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-12(8-17-19(11)3)9-20-7-5-16(2,24)13(10-20)21-6-4-14(22)18-15(21)23/h4,6,8,13,24H,5,7,9-10H2,1-3H3,(H,18,22,23)/t13-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).