[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate

C21H20FNO3 — CID 4239004

IUPAC[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)Oc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H20FNO3/c22-17-11-8-16(9-12-17)10-13-20(24)26-19-7-3-2-6-18(19)21(25)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-15H2
InChIKeyBSUOCVNOXIFKOR-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.07
Rot. Bonds4

About [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate

[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate (PubChem CID 4239004) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate
PubChem CID4239004
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)Oc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H20FNO3/c22-17-11-8-16(9-12-17)10-13-20(24)26-19-7-3-2-6-18(19)21(25)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-15H2
InChIKeyBSUOCVNOXIFKOR-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
CID 5007426
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2642079
[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25460818
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 35206012
[2-(morpholine-4-carbothioyl)phenyl] 3-phenylprop-2-enoate
CID 1142404
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
[2-(pyrrolidine-1-carbonyl)phenyl] 3-sulfanylpropanoate
CID 57178840
(2,3-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232920
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774

Frequently Asked Questions

What is the IUPAC name of [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate (CID 4239004) is [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate is O=C(C=Cc1ccc(F)cc1)Oc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is BSUOCVNOXIFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-17-11-8-16(9-12-17)10-13-20(24)26-19-7-3-2-6-18(19)21(25)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-15H2.
What are the key properties of [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate?
[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 353.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 4239004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).