4-(3-fluoropiperidin-1-yl)but-2-enamide

C9H15FN2O — CID 175740732

IUPAC4-(3-fluoropiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCCC(F)C1
InChIInChI=1S/C9H15FN2O/c10-8-3-1-5-12(7-8)6-2-4-9(11)13/h2,4,8H,1,3,5-7H2,(H2,11,13)
InChIKeyUNGSSHQYMCTGAM-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.46
Rot. Bonds3

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

4-(3-fluoropiperidin-1-yl)but-2-enamide (PubChem CID 175740732) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(3-fluoropiperidin-1-yl)but-2-enamide
PubChem CID175740732
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-(3-fluoropiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCCC(F)C1
InChIInChI=1S/C9H15FN2O/c10-8-3-1-5-12(7-8)6-2-4-9(11)13/h2,4,8H,1,3,5-7H2,(H2,11,13)
InChIKeyUNGSSHQYMCTGAM-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

(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
4-(3,3-Difluoropiperidin-1-yl)but-2-enamide
CID 123982797
(E)-N-tert-butyl-4-(3-fluoropiperidin-1-yl)but-2-enamide
CID 134295930
(E)-N-tert-butyl-4-(4-fluoropiperidin-1-yl)but-2-enamide
CID 134583708
2-Fluoro-4-piperidin-1-ylbut-2-enamide
CID 140723093
(E)-4-fluoro-1-piperidin-1-ylbut-2-en-1-one
CID 141408777
(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
1-(4-Amino-4-fluoropiperidin-1-yl)prop-2-en-1-one
CID 166145362
(E)-4-(4-fluoropiperidin-1-yl)-N-propan-2-ylbut-2-enamide
CID 170331899

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-1-yl)but-2-enamide?
The IUPAC name of 4-(3-fluoropiperidin-1-yl)but-2-enamide (CID 175740732) is 4-(3-fluoropiperidin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(3-fluoropiperidin-1-yl)but-2-enamide?
The canonical SMILES for 4-(3-fluoropiperidin-1-yl)but-2-enamide is NC(=O)C=CCN1CCCC(F)C1.
What is the InChIKey of 4-(3-fluoropiperidin-1-yl)but-2-enamide?
The InChIKey is UNGSSHQYMCTGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-8-3-1-5-12(7-8)6-2-4-9(11)13/h2,4,8H,1,3,5-7H2,(H2,11,13).
What are the key properties of 4-(3-fluoropiperidin-1-yl)but-2-enamide?
4-(3-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-(3-fluoropiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 175740732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).