(4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

C16H18F3N5O — CID 154801778

IUPAC(4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C16H18F3N5O/c1-10-5-6-20-13(21-10)15(25)24-7-3-4-11(8-24)14-22-12(9-23(14)2)16(17,18)19/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyVTANIQHKFOYWEB-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.56
Rot. Bonds2

About (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 154801778) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID154801778
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name(4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C16H18F3N5O/c1-10-5-6-20-13(21-10)15(25)24-7-3-4-11(8-24)14-22-12(9-23(14)2)16(17,18)19/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyVTANIQHKFOYWEB-UHFFFAOYSA-N
XLogP2.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 154801778) is (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ccnc(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1.
What is the InChIKey of (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is VTANIQHKFOYWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-5-6-20-13(21-10)15(25)24-7-3-4-11(8-24)14-22-12(9-23(14)2)16(17,18)19/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 353.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 154801778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).