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

C19H21F3N4O3 — CID 91892405

IUPAC3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1OC
InChIInChI=1S/C19H21F3N4O3/c1-28-14-4-3-12(9-15(14)29-2)18(27)25-13-5-7-26(8-6-13)17-10-16(19(20,21)22)23-11-24-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27)
InChIKeyCGDWENFHOZQPPW-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.91
Rot. Bonds5

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

3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91892405) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91892405
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1OC
InChIInChI=1S/C19H21F3N4O3/c1-28-14-4-3-12(9-15(14)29-2)18(27)25-13-5-7-26(8-6-13)17-10-16(19(20,21)22)23-11-24-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27)
InChIKeyCGDWENFHOZQPPW-UHFFFAOYSA-N
XLogP2.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91892405) is 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is CGDWENFHOZQPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-28-14-4-3-12(9-15(14)29-2)18(27)25-13-5-7-26(8-6-13)17-10-16(19(20,21)22)23-11-24-17/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27).
What are the key properties of 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 410.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91892405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).