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

C13H19F3N4O — CID 75431153

IUPAC2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H19F3N4O/c1-9(12(21)19-8-13(14,15)16)20-6-2-3-10(7-20)11-17-4-5-18-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,18)(H,19,21)
InChIKeyWAUHAPFBSPARSF-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.66
Rot. Bonds4

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

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 75431153) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID75431153
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H19F3N4O/c1-9(12(21)19-8-13(14,15)16)20-6-2-3-10(7-20)11-17-4-5-18-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,18)(H,19,21)
InChIKeyWAUHAPFBSPARSF-UHFFFAOYSA-N
XLogP1.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.66
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)propanamide?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 75431153) is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WAUHAPFBSPARSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(12(21)19-8-13(14,15)16)20-6-2-3-10(7-20)11-17-4-5-18-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 304.32 g/mol, XLogP of 1.66, 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)propanamide is sourced from PubChem (CID 75431153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).