3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C15H19F3N2O3 — CID 72857625

IUPAC3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCC1(CO)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C15H19F3N2O3/c1-2-14(9-21)6-3-7-20(8-14)13(23)10-4-5-11(15(16,17)18)19-12(10)22/h4-5,21H,2-3,6-9H2,1H3,(H,19,22)
InChIKeyQQAUNXXJUJTERB-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.02
Rot. Bonds3

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

3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 72857625) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID72857625
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCC1(CO)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C15H19F3N2O3/c1-2-14(9-21)6-3-7-20(8-14)13(23)10-4-5-11(15(16,17)18)19-12(10)22/h4-5,21H,2-3,6-9H2,1H3,(H,19,22)
InChIKeyQQAUNXXJUJTERB-UHFFFAOYSA-N
XLogP2.02
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 72857625) is 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CCC1(CO)CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QQAUNXXJUJTERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-2-14(9-21)6-3-7-20(8-14)13(23)10-4-5-11(15(16,17)18)19-12(10)22/h4-5,21H,2-3,6-9H2,1H3,(H,19,22).
What are the key properties of 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 332.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 72857625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).