2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C19H21F3N4O2 — CID 91809879

IUPAC2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1cccc(OCC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C19H21F3N4O2/c1-13-3-2-4-15(9-13)28-11-18(27)25-14-5-7-26(8-6-14)17-10-16(19(20,21)22)23-12-24-17/h2-4,9-10,12,14H,5-8,11H2,1H3,(H,25,27)
InChIKeyPICADRCWLIUCMI-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.97
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91809879) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91809879
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1cccc(OCC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C19H21F3N4O2/c1-13-3-2-4-15(9-13)28-11-18(27)25-14-5-7-26(8-6-14)17-10-16(19(20,21)22)23-12-24-17/h2-4,9-10,12,14H,5-8,11H2,1H3,(H,25,27)
InChIKeyPICADRCWLIUCMI-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91809879) is 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is Cc1cccc(OCC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is PICADRCWLIUCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-13-3-2-4-15(9-13)28-11-18(27)25-14-5-7-26(8-6-14)17-10-16(19(20,21)22)23-12-24-17/h2-4,9-10,12,14H,5-8,11H2,1H3,(H,25,27).
What are the key properties of 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91809879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).