ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate

C19H25FN2O3 — CID 14987136

IUPACethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate
SMILESC=COC(=O)CCN1CCC(N(C(=O)CC)c2ccccc2F)CC1
InChIInChI=1S/C19H25FN2O3/c1-3-18(23)22(17-8-6-5-7-16(17)20)15-9-12-21(13-10-15)14-11-19(24)25-4-2/h4-8,15H,2-3,9-14H2,1H3
InChIKeyZFVPUIVGPITZJV-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.11
Rot. Bonds7

About ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate

ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate (PubChem CID 14987136) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate
PubChem CID14987136
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Nameethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate
SMILESC=COC(=O)CCN1CCC(N(C(=O)CC)c2ccccc2F)CC1
InChIInChI=1S/C19H25FN2O3/c1-3-18(23)22(17-8-6-5-7-16(17)20)15-9-12-21(13-10-15)14-11-19(24)25-4-2/h4-8,15H,2-3,9-14H2,1H3
InChIKeyZFVPUIVGPITZJV-UHFFFAOYSA-N
XLogP3.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate?
The IUPAC name of ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate (CID 14987136) is ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate.
What is the SMILES notation for ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate?
The canonical SMILES for ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate is C=COC(=O)CCN1CCC(N(C(=O)CC)c2ccccc2F)CC1.
What is the InChIKey of ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate?
The InChIKey is ZFVPUIVGPITZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-3-18(23)22(17-8-6-5-7-16(17)20)15-9-12-21(13-10-15)14-11-19(24)25-4-2/h4-8,15H,2-3,9-14H2,1H3.
What are the key properties of ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate?
ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate has a molecular weight of 348.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-[4-(2-fluoro-N-propanoylanilino)piperidin-1-yl]propanoate is sourced from PubChem (CID 14987136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).