4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

C21H27F3N4O — CID 143928673

IUPAC4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESCC1CCCC(C)N1CCCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C21H27F3N4O/c1-14-5-3-6-15(2)28(14)12-4-7-20(29)25-19-13-18(26-27-19)16-8-10-17(11-9-16)21(22,23)24/h8-11,13-15H,3-7,12H2,1-2H3,(H2,25,26,27,29)
InChIKeyPYFUITWCNHWKAM-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.08
Rot. Bonds6

About 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 143928673) has the molecular formula C21H27F3N4O and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
PubChem CID143928673
Molecular FormulaC21H27F3N4O
Molecular Weight408.47 g/mol
Exact Mass408.21
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESCC1CCCC(C)N1CCCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C21H27F3N4O/c1-14-5-3-6-15(2)28(14)12-4-7-20(29)25-19-13-18(26-27-19)16-8-10-17(11-9-16)21(22,23)24/h8-11,13-15H,3-7,12H2,1-2H3,(H2,25,26,27,29)
InChIKeyPYFUITWCNHWKAM-UHFFFAOYSA-N
XLogP5.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (CID 143928673) is 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is CC1CCCC(C)N1CCCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is PYFUITWCNHWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O/c1-14-5-3-6-15(2)28(14)12-4-7-20(29)25-19-13-18(26-27-19)16-8-10-17(11-9-16)21(22,23)24/h8-11,13-15H,3-7,12H2,1-2H3,(H2,25,26,27,29).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 408.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 143928673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).