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

C13H23FN2O — CID 134295930

IUPAC(E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/CN1CCCC(F)C1
InChIInChI=1S/C13H23FN2O/c1-13(2,3)15-12(17)7-5-9-16-8-4-6-11(14)10-16/h5,7,11H,4,6,8-10H2,1-3H3,(H,15,17)/b7-5+
InChIKeyDRCAEFPZPKRSBB-FNORWQNLSA-N
MW242.34 g/mol
LogP1.89
Rot. Bonds3

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

(E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide (PubChem CID 134295930) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
PubChem CID134295930
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name(E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/CN1CCCC(F)C1
InChIInChI=1S/C13H23FN2O/c1-13(2,3)15-12(17)7-5-9-16-8-4-6-11(14)10-16/h5,7,11H,4,6,8-10H2,1-3H3,(H,15,17)/b7-5+
InChIKeyDRCAEFPZPKRSBB-FNORWQNLSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.89
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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Related Compounds

(E)-4-(dimethylamino)-1-(4-fluoropiperidin-1-yl)but-2-en-1-one
CID 118500968
(E)-4-(3-fluoropiperidin-1-yl)-N-methylbut-2-enamide
CID 122537002
(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide
CID 134295927
(E)-N-tert-butyl-4-(3-fluoropyrrolidin-1-yl)but-2-enamide
CID 134301289
(E)-N-tert-butyl-4-(4-fluoropiperidin-1-yl)but-2-enamide
CID 134583708
(E)-N-tert-butyl-4-(4,4-difluoropiperidin-1-yl)but-2-enamide
CID 134583710
(E)-N-ethyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
CID 145151050
(E)-4-(4,4-difluoropiperidin-1-yl)-N-methylbut-2-enamide
CID 145196954
(E)-4-(4-fluoropiperidin-1-yl)-N-methylbut-2-enamide
CID 145196974
(E)-4-(4-fluoropiperidin-1-yl)-N-propan-2-ylbut-2-enamide
CID 170331899
4-(4-Fluoropiperidin-1-yl)but-2-enamide
CID 175740699
4-(3-Fluoropiperidin-1-yl)but-2-enamide
CID 175740732

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide (CID 134295930) is (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide is CC(C)(C)NC(=O)/C=C/CN1CCCC(F)C1.
What is the InChIKey of (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
The InChIKey is DRCAEFPZPKRSBB-FNORWQNLSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-13(2,3)15-12(17)7-5-9-16-8-4-6-11(14)10-16/h5,7,11H,4,6,8-10H2,1-3H3,(H,15,17)/b7-5+.
What are the key properties of (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide?
(E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide has a molecular weight of 242.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 134295930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).