4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

C15H14F3N5O2 — CID 139028770

IUPAC4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESCOc1ccnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)n1
InChIInChI=1S/C15H14F3N5O2/c1-25-12-3-5-20-14(21-12)22-6-7-23(13(24)9-22)10-2-4-19-11(8-10)15(16,17)18/h2-5,8H,6-7,9H2,1H3
InChIKeyVGZQGXFAPMQPFS-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.75
Rot. Bonds3

About 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 139028770) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
PubChem CID139028770
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESCOc1ccnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)n1
InChIInChI=1S/C15H14F3N5O2/c1-25-12-3-5-20-14(21-12)22-6-7-23(13(24)9-22)10-2-4-19-11(8-10)15(16,17)18/h2-5,8H,6-7,9H2,1H3
InChIKeyVGZQGXFAPMQPFS-UHFFFAOYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 139028746
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139029314
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163352175
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163349454
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 163343878
4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139022999
1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one
CID 171323755
4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336871
5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171993393

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (CID 139028770) is 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is COc1ccnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is VGZQGXFAPMQPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-25-12-3-5-20-14(21-12)22-6-7-23(13(24)9-22)10-2-4-19-11(8-10)15(16,17)18/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one has a molecular weight of 353.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 139028770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).