1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C15H21F3N4O2 — CID 110731136

IUPAC1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O2/c1-9-12(10(2)21(3)20-9)8-19-13(23)11-4-6-22(7-5-11)14(24)15(16,17)18/h11H,4-8H2,1-3H3,(H,19,23)
InChIKeyHOSRMDRMXLUAKD-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.45
Rot. Bonds3

About 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 110731136) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID110731136
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O2/c1-9-12(10(2)21(3)20-9)8-19-13(23)11-4-6-22(7-5-11)14(24)15(16,17)18/h11H,4-8H2,1-3H3,(H,19,23)
InChIKeyHOSRMDRMXLUAKD-UHFFFAOYSA-N
XLogP1.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 110731136) is 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HOSRMDRMXLUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-9-12(10(2)21(3)20-9)8-19-13(23)11-4-6-22(7-5-11)14(24)15(16,17)18/h11H,4-8H2,1-3H3,(H,19,23).
What are the key properties of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110731136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).