N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H21F3N4O2 — CID 110280475

IUPACN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(NC(=O)C(C)n1ccc(C(F)(F)F)n1)C(=O)N1CCCCC1
InChIInChI=1S/C15H21F3N4O2/c1-10(14(24)21-7-4-3-5-8-21)19-13(23)11(2)22-9-6-12(20-22)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,23)
InChIKeyKTNVYIAORRCIOM-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.98
Rot. Bonds4

About N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 110280475) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID110280475
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(NC(=O)C(C)n1ccc(C(F)(F)F)n1)C(=O)N1CCCCC1
InChIInChI=1S/C15H21F3N4O2/c1-10(14(24)21-7-4-3-5-8-21)19-13(23)11(2)22-9-6-12(20-22)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,23)
InChIKeyKTNVYIAORRCIOM-UHFFFAOYSA-N
XLogP1.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 110280475) is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(NC(=O)C(C)n1ccc(C(F)(F)F)n1)C(=O)N1CCCCC1.
What is the InChIKey of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is KTNVYIAORRCIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10(14(24)21-7-4-3-5-8-21)19-13(23)11(2)22-9-6-12(20-22)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 346.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 110280475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).