5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C16H23N3O5 — CID 72868710

IUPAC5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C16H23N3O5/c1-10-9-19(14(21)12-8-17-15(22)18-13(12)20)5-4-16(10,23)11-2-6-24-7-3-11/h8,10-11,23H,2-7,9H2,1H3,(H2,17,18,20,22)/t10-,16+/m1/s1
InChIKeyHABIUDHVMPJZTD-HWPZZCPQSA-N
MW337.38 g/mol
LogP-0.30
Rot. Bonds2

About 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72868710) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72868710
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C16H23N3O5/c1-10-9-19(14(21)12-8-17-15(22)18-13(12)20)5-4-16(10,23)11-2-6-24-7-3-11/h8,10-11,23H,2-7,9H2,1H3,(H2,17,18,20,22)/t10-,16+/m1/s1
InChIKeyHABIUDHVMPJZTD-HWPZZCPQSA-N
XLogP-0.30
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 72868710) is 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is C[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HABIUDHVMPJZTD-HWPZZCPQSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10-9-19(14(21)12-8-17-15(22)18-13(12)20)5-4-16(10,23)11-2-6-24-7-3-11/h8,10-11,23H,2-7,9H2,1H3,(H2,17,18,20,22)/t10-,16+/m1/s1.
What are the key properties of 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72868710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).