5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione

C20H27N3O4 — CID 46965878

IUPAC5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1C1(O)CCN(Cc2c(C)n(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C20H27N3O4/c1-14-15(18(24)22(3)19(25)21(14)2)13-23-11-9-20(26,10-12-23)16-7-5-6-8-17(16)27-4/h5-8,26H,9-13H2,1-4H3
InChIKeyNIMBVCAYOWZTDJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.88
Rot. Bonds4

About 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione

5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 46965878) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID46965878
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1C1(O)CCN(Cc2c(C)n(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C20H27N3O4/c1-14-15(18(24)22(3)19(25)21(14)2)13-23-11-9-20(26,10-12-23)16-7-5-6-8-17(16)27-4/h5-8,26H,9-13H2,1-4H3
InChIKeyNIMBVCAYOWZTDJ-UHFFFAOYSA-N
XLogP0.88
TPSA76.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione (CID 46965878) is 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione is COc1ccccc1C1(O)CCN(Cc2c(C)n(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is NIMBVCAYOWZTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14-15(18(24)22(3)19(25)21(14)2)13-23-11-9-20(26,10-12-23)16-7-5-6-8-17(16)27-4/h5-8,26H,9-13H2,1-4H3.
What are the key properties of 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione?
5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 373.45 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46965878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).