3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C16H21F3N2O3 — CID 51090765

IUPAC3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)COC1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C16H21F3N2O3/c1-10(2)9-24-11-5-7-21(8-6-11)15(23)12-3-4-13(16(17,18)19)20-14(12)22/h3-4,10-11H,5-9H2,1-2H3,(H,20,22)
InChIKeyAFURWTNFUMXYDU-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.67
Rot. Bonds4

About 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 51090765) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID51090765
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)COC1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C16H21F3N2O3/c1-10(2)9-24-11-5-7-21(8-6-11)15(23)12-3-4-13(16(17,18)19)20-14(12)22/h3-4,10-11H,5-9H2,1-2H3,(H,20,22)
InChIKeyAFURWTNFUMXYDU-UHFFFAOYSA-N
XLogP2.67
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 51090765) is 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CC(C)COC1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AFURWTNFUMXYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-10(2)9-24-11-5-7-21(8-6-11)15(23)12-3-4-13(16(17,18)19)20-14(12)22/h3-4,10-11H,5-9H2,1-2H3,(H,20,22).
What are the key properties of 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 346.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 51090765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).