1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one

C16H17F3N4O2 — CID 128995667

IUPAC1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)cc1=O
InChIInChI=1S/C16H17F3N4O2/c1-22-6-4-10(7-13(22)24)15(25)23-5-2-3-11(9-23)14-20-8-12(21-14)16(17,18)19/h4,6-8,11H,2-3,5,9H2,1H3,(H,20,21)
InChIKeyOOSZLZBDTVYBJZ-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.15
Rot. Bonds2

About 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one

1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 128995667) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
PubChem CID128995667
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)cc1=O
InChIInChI=1S/C16H17F3N4O2/c1-22-6-4-10(7-13(22)24)15(25)23-5-2-3-11(9-23)14-20-8-12(21-14)16(17,18)19/h4,6-8,11H,2-3,5,9H2,1H3,(H,20,21)
InChIKeyOOSZLZBDTVYBJZ-UHFFFAOYSA-N
XLogP2.15
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one (CID 128995667) is 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one is Cn1ccc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)cc1=O.
What is the InChIKey of 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is OOSZLZBDTVYBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22-6-4-10(7-13(22)24)15(25)23-5-2-3-11(9-23)14-20-8-12(21-14)16(17,18)19/h4,6-8,11H,2-3,5,9H2,1H3,(H,20,21).
What are the key properties of 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one?
1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 128995667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).