2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H17F3N4O — CID 84585406

IUPAC2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCC(c2ncc[nH]2)C1)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-18-10(20)7-19-5-1-2-9(6-19)11-16-3-4-17-11/h3-4,9H,1-2,5-8H2,(H,16,17)(H,18,20)
InChIKeyKMMZHCKCZGYCBH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.27
Rot. Bonds4

About 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 84585406) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID84585406
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCC(c2ncc[nH]2)C1)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-18-10(20)7-19-5-1-2-9(6-19)11-16-3-4-17-11/h3-4,9H,1-2,5-8H2,(H,16,17)(H,18,20)
InChIKeyKMMZHCKCZGYCBH-UHFFFAOYSA-N
XLogP1.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 84585406) is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCCC(c2ncc[nH]2)C1)NCC(F)(F)F.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KMMZHCKCZGYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-18-10(20)7-19-5-1-2-9(6-19)11-16-3-4-17-11/h3-4,9H,1-2,5-8H2,(H,16,17)(H,18,20).
What are the key properties of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 84585406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).