[6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone

C16H23F3N4O2 — CID 150580033

IUPAC[6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCOCCN(C)Cc1cc(C(=O)N2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N4O2/c1-22(8-9-25-2)11-12-10-13(21-15(20-12)16(17,18)19)14(24)23-6-4-3-5-7-23/h10H,3-9,11H2,1-2H3
InChIKeyINQATQCIJQDHIG-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.20
Rot. Bonds6

About [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 150580033) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID150580033
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name[6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCOCCN(C)Cc1cc(C(=O)N2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N4O2/c1-22(8-9-25-2)11-12-10-13(21-15(20-12)16(17,18)19)14(24)23-6-4-3-5-7-23/h10H,3-9,11H2,1-2H3
InChIKeyINQATQCIJQDHIG-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 150580033) is [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone is COCCN(C)Cc1cc(C(=O)N2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is INQATQCIJQDHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-22(8-9-25-2)11-12-10-13(21-15(20-12)16(17,18)19)14(24)23-6-4-3-5-7-23/h10H,3-9,11H2,1-2H3.
What are the key properties of [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 360.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-methoxyethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 150580033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).