N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H21F3N4O2 — CID 128989500

IUPACN-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C15H21F3N4O2/c1-9-6-10(2)22(20-9)8-14(24)21-7-12(19-11(3)23)4-5-13(21)15(16,17)18/h6,12-13H,4-5,7-8H2,1-3H3,(H,19,23)
InChIKeyAJAZEVRCQQFUKI-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.56
Rot. Bonds3

About N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989500) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989500
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C15H21F3N4O2/c1-9-6-10(2)22(20-9)8-14(24)21-7-12(19-11(3)23)4-5-13(21)15(16,17)18/h6,12-13H,4-5,7-8H2,1-3H3,(H,19,23)
InChIKeyAJAZEVRCQQFUKI-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989500) is N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)Cn2nc(C)cc2C)C1.
What is the InChIKey of N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is AJAZEVRCQQFUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-9-6-10(2)22(20-9)8-14(24)21-7-12(19-11(3)23)4-5-13(21)15(16,17)18/h6,12-13H,4-5,7-8H2,1-3H3,(H,19,23).
What are the key properties of N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).