(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide

C10H16F2N2O — CID 145196954

IUPAC(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c1-13-9(15)3-2-6-14-7-4-10(11,12)5-8-14/h2-3H,4-8H2,1H3,(H,13,15)/b3-2+
InChIKeyXMZOSLKSWSKICB-NSCUHMNNSA-N
MW218.25 g/mol
LogP1.02
Rot. Bonds3

About (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide

(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide (PubChem CID 145196954) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide
PubChem CID145196954
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c1-13-9(15)3-2-6-14-7-4-10(11,12)5-8-14/h2-3H,4-8H2,1H3,(H,13,15)/b3-2+
InChIKeyXMZOSLKSWSKICB-NSCUHMNNSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.02
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 (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide (CID 145196954) is (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide is CNC(=O)/C=C/CN1CCC(F)(F)CC1.
What is the InChIKey of (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide?
The InChIKey is XMZOSLKSWSKICB-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-13-9(15)3-2-6-14-7-4-10(11,12)5-8-14/h2-3H,4-8H2,1H3,(H,13,15)/b3-2+.
What are the key properties of (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide?
(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide has a molecular weight of 218.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide is sourced from PubChem (CID 145196954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).