4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C14H17F4N3O2 — CID 86785018

IUPAC4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1C(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H17F4N3O2/c1-9-2-3-19-11(22)10(9)12(23)21-6-4-20(5-7-21)8-14(17,18)13(15)16/h2-3,13H,4-8H2,1H3,(H,19,22)
InChIKeyBFHMKFIRWXIXJT-UHFFFAOYSA-N
MW335.30 g/mol
LogP1.34
Rot. Bonds4

About 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one

4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 86785018) has the molecular formula C14H17F4N3O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID86785018
Molecular FormulaC14H17F4N3O2
Molecular Weight335.30 g/mol
Exact Mass335.13
IUPAC Name4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1C(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H17F4N3O2/c1-9-2-3-19-11(22)10(9)12(23)21-6-4-20(5-7-21)8-14(17,18)13(15)16/h2-3,13H,4-8H2,1H3,(H,19,22)
InChIKeyBFHMKFIRWXIXJT-UHFFFAOYSA-N
XLogP1.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 86785018) is 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1C(=O)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is BFHMKFIRWXIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O2/c1-9-2-3-19-11(22)10(9)12(23)21-6-4-20(5-7-21)8-14(17,18)13(15)16/h2-3,13H,4-8H2,1H3,(H,19,22).
What are the key properties of 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 335.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 86785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).