4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

C16H22F3N3O2 — CID 146131297

IUPAC4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H22F3N3O2/c1-4-12-7-11(8-13(23)20-12)14(24)22-6-5-21(9-15(22,2)3)10-16(17,18)19/h7-8H,4-6,9-10H2,1-3H3,(H,20,23)
InChIKeyPSERTHDFVPYTJE-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.04
Rot. Bonds3

About 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (PubChem CID 146131297) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
PubChem CID146131297
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H22F3N3O2/c1-4-12-7-11(8-13(23)20-12)14(24)22-6-5-21(9-15(22,2)3)10-16(17,18)19/h7-8H,4-6,9-10H2,1-3H3,(H,20,23)
InChIKeyPSERTHDFVPYTJE-UHFFFAOYSA-N
XLogP2.04
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (CID 146131297) is 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is CCc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The InChIKey is PSERTHDFVPYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-4-12-7-11(8-13(23)20-12)14(24)22-6-5-21(9-15(22,2)3)10-16(17,18)19/h7-8H,4-6,9-10H2,1-3H3,(H,20,23).
What are the key properties of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one has a molecular weight of 345.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 146131297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).