1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one

C13H15F3N2O3 — CID 162631868

IUPAC1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCC(OC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C13H15F3N2O3/c1-17-8-9(2-3-11(17)19)12(20)18-6-4-10(5-7-18)21-13(14,15)16/h2-3,8,10H,4-7H2,1H3
InChIKeyYAHYHFGJKBUGLL-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.53
Rot. Bonds2

About 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one

1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 162631868) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
PubChem CID162631868
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCC(OC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C13H15F3N2O3/c1-17-8-9(2-3-11(17)19)12(20)18-6-4-10(5-7-18)21-13(14,15)16/h2-3,8,10H,4-7H2,1H3
InChIKeyYAHYHFGJKBUGLL-UHFFFAOYSA-N
XLogP1.53
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one (CID 162631868) is 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one is Cn1cc(C(=O)N2CCC(OC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is YAHYHFGJKBUGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-17-8-9(2-3-11(17)19)12(20)18-6-4-10(5-7-18)21-13(14,15)16/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 304.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 162631868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).