4-(4-fluoropiperidin-1-yl)but-2-enamide

C9H15FN2O — CID 175740699

IUPAC4-(4-fluoropiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCC(F)CC1
InChIInChI=1S/C9H15FN2O/c10-8-3-6-12(7-4-8)5-1-2-9(11)13/h1-2,8H,3-7H2,(H2,11,13)
InChIKeyYVPASDZRVJRGMG-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.46
Rot. Bonds3

About 4-(4-fluoropiperidin-1-yl)but-2-enamide

4-(4-fluoropiperidin-1-yl)but-2-enamide (PubChem CID 175740699) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)but-2-enamide
PubChem CID175740699
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-(4-fluoropiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCC(F)CC1
InChIInChI=1S/C9H15FN2O/c10-8-3-6-12(7-4-8)5-1-2-9(11)13/h1-2,8H,3-7H2,(H2,11,13)
InChIKeyYVPASDZRVJRGMG-UHFFFAOYSA-N
XLogP0.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.46
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

4-[(3S)-3-fluoropyrrolidin-1-yl]but-2-enamide
CID 175740698
(E)-4-(3-fluoropyrrolidin-1-yl)but-2-enoic acid
CID 130283749
(E)-4-(3,3-difluoroazetidin-1-yl)but-2-enamide
CID 149361626
1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide
CID 154726171
(E)-1-(4-aminopiperidin-1-yl)-4-pyrrolidin-1-ylbut-2-en-1-one
CID 70888666
(E)-4-(3-fluoropyrrolidin-1-yl)-N-iodobut-2-enamide
CID 166685789
(E)-4-(3-fluoropyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 162736731
(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
4-(2-methylpiperidin-1-yl)but-2-enamide
CID 141030291
4-(4-ethylpiperidin-1-yl)but-2-enoic acid
CID 76940583
(E)-4-(3-fluoroazetidin-1-yl)but-2-enoic acid;hydrochloride
CID 146047965
4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide
CID 154079867

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-1-yl)but-2-enamide?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)but-2-enamide (CID 175740699) is 4-(4-fluoropiperidin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)but-2-enamide?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)but-2-enamide is NC(=O)C=CCN1CCC(F)CC1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)but-2-enamide?
The InChIKey is YVPASDZRVJRGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-8-3-6-12(7-4-8)5-1-2-9(11)13/h1-2,8H,3-7H2,(H2,11,13).
What are the key properties of 4-(4-fluoropiperidin-1-yl)but-2-enamide?
4-(4-fluoropiperidin-1-yl)but-2-enamide has a molecular weight of 186.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 175740699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).