1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one

C17H16F4N4O — CID 165435255

IUPAC1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
SMILESCc1nc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H16F4N4O/c1-11-22-14(17(19,20)21)8-15(23-11)24-6-7-25(16(26)10-24)9-12-2-4-13(18)5-3-12/h2-5,8H,6-7,9-10H2,1H3
InChIKeyLMOMODLUQSWOOJ-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.79
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one

1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 165435255) has the molecular formula C17H16F4N4O and a molecular weight of 368.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
PubChem CID165435255
Molecular FormulaC17H16F4N4O
Molecular Weight368.33 g/mol
Exact Mass368.13
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
SMILESCc1nc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H16F4N4O/c1-11-22-14(17(19,20)21)8-15(23-11)24-6-7-25(16(26)10-24)9-12-2-4-13(18)5-3-12/h2-5,8H,6-7,9-10H2,1H3
InChIKeyLMOMODLUQSWOOJ-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293
1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one
CID 165435048
6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605343
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 72898790
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
CID 157436234
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 91631597
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride
CID 154580874

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one (CID 165435255) is 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one is Cc1nc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is LMOMODLUQSWOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O/c1-11-22-14(17(19,20)21)8-15(23-11)24-6-7-25(16(26)10-24)9-12-2-4-13(18)5-3-12/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one?
1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 368.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 165435255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).