2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H15F3N2O2 — CID 62655874

IUPAC2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=CC1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-14-9(17)5-15-4-2-1-3-8(15)6-16/h6,8H,1-5,7H2,(H,14,17)
InChIKeyXVUZIXJOORPRES-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62655874) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62655874
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=CC1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-14-9(17)5-15-4-2-1-3-8(15)6-16/h6,8H,1-5,7H2,(H,14,17)
InChIKeyXVUZIXJOORPRES-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 62655874) is 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=CC1CCCCN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XVUZIXJOORPRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)7-14-9(17)5-15-4-2-1-3-8(15)6-16/h6,8H,1-5,7H2,(H,14,17).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62655874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).