5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one

C16H17F3N4O — CID 166307164

IUPAC5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(N2CCN(c3ccc(=O)[nH]c3)CC2)n1
InChIInChI=1S/C16H17F3N4O/c1-11-8-12(16(17,18)19)9-14(21-11)23-6-4-22(5-7-23)13-2-3-15(24)20-10-13/h2-3,8-10H,4-7H2,1H3,(H,20,24)
InChIKeyPAXMXWKGAFBJFT-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.42
Rot. Bonds2

About 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one

5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 166307164) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID166307164
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(N2CCN(c3ccc(=O)[nH]c3)CC2)n1
InChIInChI=1S/C16H17F3N4O/c1-11-8-12(16(17,18)19)9-14(21-11)23-6-4-22(5-7-23)13-2-3-15(24)20-10-13/h2-3,8-10H,4-7H2,1H3,(H,20,24)
InChIKeyPAXMXWKGAFBJFT-UHFFFAOYSA-N
XLogP2.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one (CID 166307164) is 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one is Cc1cc(C(F)(F)F)cc(N2CCN(c3ccc(=O)[nH]c3)CC2)n1.
What is the InChIKey of 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is PAXMXWKGAFBJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-11-8-12(16(17,18)19)9-14(21-11)23-6-4-22(5-7-23)13-2-3-15(24)20-10-13/h2-3,8-10H,4-7H2,1H3,(H,20,24).
What are the key properties of 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one?
5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 338.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166307164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).