(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide

C10H17FN2O — CID 145196974

IUPAC(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCC(F)CC1
InChIInChI=1S/C10H17FN2O/c1-12-10(14)3-2-6-13-7-4-9(11)5-8-13/h2-3,9H,4-8H2,1H3,(H,12,14)/b3-2+
InChIKeyBDNXKLBSAYSULL-NSCUHMNNSA-N
MW200.26 g/mol
LogP0.72
Rot. Bonds3

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

(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide (PubChem CID 145196974) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide
PubChem CID145196974
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCC(F)CC1
InChIInChI=1S/C10H17FN2O/c1-12-10(14)3-2-6-13-7-4-9(11)5-8-13/h2-3,9H,4-8H2,1H3,(H,12,14)/b3-2+
InChIKeyBDNXKLBSAYSULL-NSCUHMNNSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.72
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-fluoropiperidin-1-yl)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide (CID 145196974) is (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide is CNC(=O)/C=C/CN1CCC(F)CC1.
What is the InChIKey of (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide?
The InChIKey is BDNXKLBSAYSULL-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-12-10(14)3-2-6-13-7-4-9(11)5-8-13/h2-3,9H,4-8H2,1H3,(H,12,14)/b3-2+.
What are the key properties of (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide?
(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide has a molecular weight of 200.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide is sourced from PubChem (CID 145196974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).