2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide

C16H19F3N2O2 — CID 126808146

IUPAC2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C1CCCC(CC(=O)N(CCC(F)(F)F)c2ccccc2)N1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)9-10-21(13-6-2-1-3-7-13)15(23)11-12-5-4-8-14(22)20-12/h1-3,6-7,12H,4-5,8-11H2,(H,20,22)
InChIKeyQVRIBDOBINFWSH-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide

2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 126808146) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID126808146
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C1CCCC(CC(=O)N(CCC(F)(F)F)c2ccccc2)N1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)9-10-21(13-6-2-1-3-7-13)15(23)11-12-5-4-8-14(22)20-12/h1-3,6-7,12H,4-5,8-11H2,(H,20,22)
InChIKeyQVRIBDOBINFWSH-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide (CID 126808146) is 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide is O=C1CCCC(CC(=O)N(CCC(F)(F)F)c2ccccc2)N1.
What is the InChIKey of 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is QVRIBDOBINFWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)9-10-21(13-6-2-1-3-7-13)15(23)11-12-5-4-8-14(22)20-12/h1-3,6-7,12H,4-5,8-11H2,(H,20,22).
What are the key properties of 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 328.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopiperidin-2-yl)-N-phenyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 126808146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).