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

C12H17F3N4O2 — CID 138034236

IUPAC3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)[nH]c1=O
InChIInChI=1S/C12H17F3N4O2/c1-18-6-9(17-11(18)21)10(20)16-8-2-4-19(5-3-8)7-12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,20)(H,17,21)
InChIKeyDVMJKEPLZKXZAX-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.47
Rot. Bonds3

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

3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 138034236) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID138034236
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)[nH]c1=O
InChIInChI=1S/C12H17F3N4O2/c1-18-6-9(17-11(18)21)10(20)16-8-2-4-19(5-3-8)7-12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,20)(H,17,21)
InChIKeyDVMJKEPLZKXZAX-UHFFFAOYSA-N
XLogP0.47
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 138034236) is 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is Cn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)[nH]c1=O.
What is the InChIKey of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is DVMJKEPLZKXZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-18-6-9(17-11(18)21)10(20)16-8-2-4-19(5-3-8)7-12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138034236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).