1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide

C13H17F3N4O2 — CID 71858528

IUPAC1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N4O2/c1-19-7-4-17-10(19)11(21)18-8-9-2-5-20(6-3-9)12(22)13(14,15)16/h4,7,9H,2-3,5-6,8H2,1H3,(H,18,21)
InChIKeyGLTWXBHRITXKLX-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.95
Rot. Bonds3

About 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide

1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide (PubChem CID 71858528) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide
PubChem CID71858528
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N4O2/c1-19-7-4-17-10(19)11(21)18-8-9-2-5-20(6-3-9)12(22)13(14,15)16/h4,7,9H,2-3,5-6,8H2,1H3,(H,18,21)
InChIKeyGLTWXBHRITXKLX-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide (CID 71858528) is 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide is Cn1ccnc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide?
The InChIKey is GLTWXBHRITXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-19-7-4-17-10(19)11(21)18-8-9-2-5-20(6-3-9)12(22)13(14,15)16/h4,7,9H,2-3,5-6,8H2,1H3,(H,18,21).
What are the key properties of 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide?
1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 71858528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).