(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide

C11H19FN2O — CID 145151050

IUPAC(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
SMILESCCNC(=O)/C=C/CN1CCCC(F)C1
InChIInChI=1S/C11H19FN2O/c1-2-13-11(15)6-4-8-14-7-3-5-10(12)9-14/h4,6,10H,2-3,5,7-9H2,1H3,(H,13,15)/b6-4+
InChIKeyBMBJGVIIJCIKAO-GQCTYLIASA-N
MW214.28 g/mol
LogP1.11
Rot. Bonds4

About (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide

(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide (PubChem CID 145151050) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
PubChem CID145151050
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
SMILESCCNC(=O)/C=C/CN1CCCC(F)C1
InChIInChI=1S/C11H19FN2O/c1-2-13-11(15)6-4-8-14-7-3-5-10(12)9-14/h4,6,10H,2-3,5,7-9H2,1H3,(H,13,15)/b6-4+
InChIKeyBMBJGVIIJCIKAO-GQCTYLIASA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.11
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)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide (CID 145151050) is (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide is CCNC(=O)/C=C/CN1CCCC(F)C1.
What is the InChIKey of (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
The InChIKey is BMBJGVIIJCIKAO-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19FN2O/c1-2-13-11(15)6-4-8-14-7-3-5-10(12)9-14/h4,6,10H,2-3,5,7-9H2,1H3,(H,13,15)/b6-4+.
What are the key properties of (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide has a molecular weight of 214.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 145151050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).