3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide

C15H19FN2O — CID 76922751

IUPAC3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCC1CCCCN1
InChIInChI=1S/C15H19FN2O/c16-13-7-4-12(5-8-13)6-9-15(19)18-11-14-3-1-2-10-17-14/h4-9,14,17H,1-3,10-11H2,(H,18,19)
InChIKeyHOVQHUKKWNCFPZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide

3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide (PubChem CID 76922751) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
PubChem CID76922751
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCC1CCCCN1
InChIInChI=1S/C15H19FN2O/c16-13-7-4-12(5-8-13)6-9-15(19)18-11-14-3-1-2-10-17-14/h4-9,14,17H,1-3,10-11H2,(H,18,19)
InChIKeyHOVQHUKKWNCFPZ-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
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 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide (CID 76922751) is 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)NCC1CCCCN1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
The InChIKey is HOVQHUKKWNCFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-7-4-12(5-8-13)6-9-15(19)18-11-14-3-1-2-10-17-14/h4-9,14,17H,1-3,10-11H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide has a molecular weight of 262.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 76922751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).