N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

C13H19F3N4O2 — CID 167977632

IUPACN,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)[nH]1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N4O2/c1-18-7-10(17-12(18)22)11(21)19(2)9-3-5-20(6-4-9)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,22)
InChIKeyQVWWWTKDHCPUKF-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.81
Rot. Bonds3

About N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 167977632) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID167977632
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)[nH]1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N4O2/c1-18-7-10(17-12(18)22)11(21)19(2)9-3-5-20(6-4-9)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,22)
InChIKeyQVWWWTKDHCPUKF-UHFFFAOYSA-N
XLogP0.81
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 167977632) is N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is CN(C(=O)c1cn(C)c(=O)[nH]1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is QVWWWTKDHCPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-18-7-10(17-12(18)22)11(21)19(2)9-3-5-20(6-4-9)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,22).
What are the key properties of N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167977632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).