2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3N3O2 — CID 63662448

IUPAC2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CCC(NCC(=O)NCC(F)(F)F)CN1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)5-15-8(17)4-13-6-1-2-7(16)14-3-6/h6,13H,1-5H2,(H,14,16)(H,15,17)
InChIKeyHJFMZWFFMXPBMO-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.47
Rot. Bonds4

About 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63662448) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63662448
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CCC(NCC(=O)NCC(F)(F)F)CN1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)5-15-8(17)4-13-6-1-2-7(16)14-3-6/h6,13H,1-5H2,(H,14,16)(H,15,17)
InChIKeyHJFMZWFFMXPBMO-UHFFFAOYSA-N
XLogP-0.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 63662448) is 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C1CCC(NCC(=O)NCC(F)(F)F)CN1.
What is the InChIKey of 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HJFMZWFFMXPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c10-9(11,12)5-15-8(17)4-13-6-1-2-7(16)14-3-6/h6,13H,1-5H2,(H,14,16)(H,15,17).
What are the key properties of 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.22 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopiperidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63662448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).