N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C15H21F3N4O2 — CID 71977382

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(N2CCC(NC(=O)COCC(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C15H21F3N4O2/c1-10-7-13(20-11(2)19-10)22-5-3-12(4-6-22)21-14(23)8-24-9-15(16,17)18/h7,12H,3-6,8-9H2,1-2H3,(H,21,23)
InChIKeyCKJLEPNEVDCMFO-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 71977382) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID71977382
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(N2CCC(NC(=O)COCC(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C15H21F3N4O2/c1-10-7-13(20-11(2)19-10)22-5-3-12(4-6-22)21-14(23)8-24-9-15(16,17)18/h7,12H,3-6,8-9H2,1-2H3,(H,21,23)
InChIKeyCKJLEPNEVDCMFO-UHFFFAOYSA-N
XLogP1.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 71977382) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(N2CCC(NC(=O)COCC(F)(F)F)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CKJLEPNEVDCMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10-7-13(20-11(2)19-10)22-5-3-12(4-6-22)21-14(23)8-24-9-15(16,17)18/h7,12H,3-6,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 71977382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).