[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C20H22F3N3O — CID 56865645

IUPAC[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCc1cnc(C)nc1N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H22F3N3O/c1-3-14-11-24-13(2)25-19(14)26-10-4-5-16(12-26)18(27)15-6-8-17(9-7-15)20(21,22)23/h6-9,11,16H,3-5,10,12H2,1-2H3
InChIKeyIGZFTFFFYJKOOM-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.47
Rot. Bonds4

About [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 56865645) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID56865645
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCc1cnc(C)nc1N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H22F3N3O/c1-3-14-11-24-13(2)25-19(14)26-10-4-5-16(12-26)18(27)15-6-8-17(9-7-15)20(21,22)23/h6-9,11,16H,3-5,10,12H2,1-2H3
InChIKeyIGZFTFFFYJKOOM-UHFFFAOYSA-N
XLogP4.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 56865645) is [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is CCc1cnc(C)nc1N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is IGZFTFFFYJKOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-3-14-11-24-13(2)25-19(14)26-10-4-5-16(12-26)18(27)15-6-8-17(9-7-15)20(21,22)23/h6-9,11,16H,3-5,10,12H2,1-2H3.
What are the key properties of [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 377.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 56865645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).