4-(3,3-difluoropiperidin-1-yl)but-2-enamide

C9H14F2N2O — CID 123982797

IUPAC4-(3,3-difluoropiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCCC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-2-6-13(7-9)5-1-3-8(12)14/h1,3H,2,4-7H2,(H2,12,14)
InChIKeyQEUFABAMIGIZNC-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.76
Rot. Bonds3

About 4-(3,3-difluoropiperidin-1-yl)but-2-enamide

4-(3,3-difluoropiperidin-1-yl)but-2-enamide (PubChem CID 123982797) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)but-2-enamide
PubChem CID123982797
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name4-(3,3-difluoropiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCCC(F)(F)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-2-6-13(7-9)5-1-3-8(12)14/h1,3H,2,4-7H2,(H2,12,14)
InChIKeyQEUFABAMIGIZNC-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)but-2-enamide?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)but-2-enamide (CID 123982797) is 4-(3,3-difluoropiperidin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)but-2-enamide?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)but-2-enamide is NC(=O)C=CCN1CCCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)but-2-enamide?
The InChIKey is QEUFABAMIGIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)4-2-6-13(7-9)5-1-3-8(12)14/h1,3H,2,4-7H2,(H2,12,14).
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)but-2-enamide?
4-(3,3-difluoropiperidin-1-yl)but-2-enamide has a molecular weight of 204.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 123982797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).