4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C15H19F3N4O2 — CID 136535656

IUPAC4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCC(C(F)(F)F)C(C)(C)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H19F3N4O2/c1-14(2)8-22(6-5-10(14)15(16,17)18)11-9(7-19)12(23)21(4)13(24)20(11)3/h10H,5-6,8H2,1-4H3
InChIKeyUXSXUFJFGRFCIW-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.37
Rot. Bonds1

About 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 136535656) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID136535656
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCC(C(F)(F)F)C(C)(C)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H19F3N4O2/c1-14(2)8-22(6-5-10(14)15(16,17)18)11-9(7-19)12(23)21(4)13(24)20(11)3/h10H,5-6,8H2,1-4H3
InChIKeyUXSXUFJFGRFCIW-UHFFFAOYSA-N
XLogP1.37
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 136535656) is 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(N2CCC(C(F)(F)F)C(C)(C)C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is UXSXUFJFGRFCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-14(2)8-22(6-5-10(14)15(16,17)18)11-9(7-19)12(23)21(4)13(24)20(11)3/h10H,5-6,8H2,1-4H3.
What are the key properties of 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 344.34 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 136535656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).