3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C18H19F3N4O2 — CID 91908792

IUPAC3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C18H19F3N4O2/c1-27-14-4-2-3-12(9-14)17(26)24-13-5-7-25(8-6-13)16-10-15(18(19,20)21)22-11-23-16/h2-4,9-11,13H,5-8H2,1H3,(H,24,26)
InChIKeyVUKOKZDFSYPVOO-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.90
Rot. Bonds4

About 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91908792) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91908792
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C18H19F3N4O2/c1-27-14-4-2-3-12(9-14)17(26)24-13-5-7-25(8-6-13)16-10-15(18(19,20)21)22-11-23-16/h2-4,9-11,13H,5-8H2,1H3,(H,24,26)
InChIKeyVUKOKZDFSYPVOO-UHFFFAOYSA-N
XLogP2.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91908792) is 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is VUKOKZDFSYPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-27-14-4-2-3-12(9-14)17(26)24-13-5-7-25(8-6-13)16-10-15(18(19,20)21)22-11-23-16/h2-4,9-11,13H,5-8H2,1H3,(H,24,26).
What are the key properties of 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91908792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).