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

C17H25N3O5 — CID 72904026

IUPAC5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H25N3O5/c1-11-9-20(6-5-17(11,24)12-3-7-25-8-4-12)15(22)13-10-19(2)16(23)18-14(13)21/h10-12,24H,3-9H2,1-2H3,(H,18,21,23)/t11-,17+/m1/s1
InChIKeyLXODMVUDQQEOEU-DIFFPNOSSA-N
MW351.40 g/mol
LogP-0.29
Rot. Bonds2

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

5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (PubChem CID 72904026) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
PubChem CID72904026
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H25N3O5/c1-11-9-20(6-5-17(11,24)12-3-7-25-8-4-12)15(22)13-10-19(2)16(23)18-14(13)21/h10-12,24H,3-9H2,1-2H3,(H,18,21,23)/t11-,17+/m1/s1
InChIKeyLXODMVUDQQEOEU-DIFFPNOSSA-N
XLogP-0.29
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (CID 72904026) is 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is C[C@@H]1CN(C(=O)c2cn(C)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]-1-methylpyrimidine-2,4-dione?
The InChIKey is LXODMVUDQQEOEU-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-11-9-20(6-5-17(11,24)12-3-7-25-8-4-12)15(22)13-10-19(2)16(23)18-14(13)21/h10-12,24H,3-9H2,1-2H3,(H,18,21,23)/t11-,17+/m1/s1.
What are the key properties of 5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
5-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 351.40 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 72904026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).