5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione

C11H14F3N3O3 — CID 136573680

IUPAC5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1(C(F)(F)F)CCN(c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H14F3N3O3/c1-20-10(11(12,13)14)2-4-17(5-3-10)7-6-15-9(19)16-8(7)18/h6H,2-5H2,1H3,(H2,15,16,18,19)
InChIKeyJEVQNEZWPTVPKI-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.61
Rot. Bonds2

About 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione

5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 136573680) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID136573680
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1(C(F)(F)F)CCN(c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H14F3N3O3/c1-20-10(11(12,13)14)2-4-17(5-3-10)7-6-15-9(19)16-8(7)18/h6H,2-5H2,1H3,(H2,15,16,18,19)
InChIKeyJEVQNEZWPTVPKI-UHFFFAOYSA-N
XLogP0.61
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (CID 136573680) is 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is COC1(C(F)(F)F)CCN(c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is JEVQNEZWPTVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-20-10(11(12,13)14)2-4-17(5-3-10)7-6-15-9(19)16-8(7)18/h6H,2-5H2,1H3,(H2,15,16,18,19).
What are the key properties of 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 293.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 136573680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).