6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one

C14H19F2N3O2 — CID 132970812

IUPAC6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2cccc(=O)[nH]2)CCN1CC(F)F
InChIInChI=1S/C14H19F2N3O2/c1-2-10-8-19(7-6-18(10)9-12(15)16)14(21)11-4-3-5-13(20)17-11/h3-5,10,12H,2,6-9H2,1H3,(H,17,20)
InChIKeyUGJSKXLPFXNWDW-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.18
Rot. Bonds4

About 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one

6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 132970812) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID132970812
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2cccc(=O)[nH]2)CCN1CC(F)F
InChIInChI=1S/C14H19F2N3O2/c1-2-10-8-19(7-6-18(10)9-12(15)16)14(21)11-4-3-5-13(20)17-11/h3-5,10,12H,2,6-9H2,1H3,(H,17,20)
InChIKeyUGJSKXLPFXNWDW-UHFFFAOYSA-N
XLogP1.18
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one (CID 132970812) is 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one is CCC1CN(C(=O)c2cccc(=O)[nH]2)CCN1CC(F)F.
What is the InChIKey of 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is UGJSKXLPFXNWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-2-10-8-19(7-6-18(10)9-12(15)16)14(21)11-4-3-5-13(20)17-11/h3-5,10,12H,2,6-9H2,1H3,(H,17,20).
What are the key properties of 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one?
6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 299.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 132970812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).