(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate

C16H18FNO3 — CID 5007426

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C16H18FNO3/c17-14-7-4-13(5-8-14)6-9-16(20)21-12-15(19)18-10-2-1-3-11-18/h4-9H,1-3,10-12H2
InChIKeyNSEBGDCUVMXKRZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.39
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate

(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate (PubChem CID 5007426) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
PubChem CID5007426
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C16H18FNO3/c17-14-7-4-13(5-8-14)6-9-16(20)21-12-15(19)18-10-2-1-3-11-18/h4-9H,1-3,10-12H2
InChIKeyNSEBGDCUVMXKRZ-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2642079
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9333491
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 30505162
(2-oxo-2-piperidin-1-ylethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4692193
[2-(azepan-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2346238
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623889
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 3526016
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2371643
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate
CID 78763925
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 9018611

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate (CID 5007426) is (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate is O=C(C=Cc1ccc(F)cc1)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is NSEBGDCUVMXKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-14-7-4-13(5-8-14)6-9-16(20)21-12-15(19)18-10-2-1-3-11-18/h4-9H,1-3,10-12H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate?
(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 291.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 5007426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).