3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C18H18F3N3O3 — CID 56738957

About 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 56738957) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
• PubChem CID: 56738957
• Molecular Formula: C18H18F3N3O3
• Molecular Weight: 381.35 g/mol
• Exact Mass: 381.13
• IUPAC Name: 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
• SMILES: Cc1ccc(C2(O)CCN(C(=O)c3ccc(C(F)(F)F)[nH]c3=O)CC2)nc1
• InChI: InChI=1S/C18H18F3N3O3/c1-11-2-4-13(22-10-11)17(27)6-8-24(9-7-17)16(26)12-3-5-14(18(19,20)21)23-15(12)25/h2-5,10,27H,6-9H2,1H3,(H,23,25)
• InChIKey: LHIGMNUETCXDJZ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 86.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.35
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?

The IUPAC name of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 56738957) is 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

What is the SMILES notation for 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?

The canonical SMILES for 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1ccc(C2(O)CCN(C(=O)c3ccc(C(F)(F)F)[nH]c3=O)CC2)nc1.

What is the InChIKey of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?

The InChIKey is LHIGMNUETCXDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-11-2-4-13(22-10-11)17(27)6-8-24(9-7-17)16(26)12-3-5-14(18(19,20)21)23-15(12)25/h2-5,10,27H,6-9H2,1H3,(H,23,25).

What are the key properties of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?

3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 381.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 56738957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).