4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C19H21F3N4O2 — CID 91892422

IUPAC4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1
InChIInChI=1S/C19H21F3N4O2/c1-12-23-16(19(20,21)22)11-17(24-12)26-9-7-14(8-10-26)25-18(27)13-3-5-15(28-2)6-4-13/h3-6,11,14H,7-10H2,1-2H3,(H,25,27)
InChIKeyHLSJNLPASOCLBD-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.21
Rot. Bonds4

About 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91892422) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91892422
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1
InChIInChI=1S/C19H21F3N4O2/c1-12-23-16(19(20,21)22)11-17(24-12)26-9-7-14(8-10-26)25-18(27)13-3-5-15(28-2)6-4-13/h3-6,11,14H,7-10H2,1-2H3,(H,25,27)
InChIKeyHLSJNLPASOCLBD-UHFFFAOYSA-N
XLogP3.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91892422) is 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is HLSJNLPASOCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-12-23-16(19(20,21)22)11-17(24-12)26-9-7-14(8-10-26)25-18(27)13-3-5-15(28-2)6-4-13/h3-6,11,14H,7-10H2,1-2H3,(H,25,27).
What are the key properties of 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 394.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91892422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).