methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate

C13H20FNO3 — CID 126828050

IUPACmethyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate
SMILESCCC=C(F)C(=O)N1CCC(CC(=O)OC)CC1
InChIInChI=1S/C13H20FNO3/c1-3-4-11(14)13(17)15-7-5-10(6-8-15)9-12(16)18-2/h4,10H,3,5-9H2,1-2H3
InChIKeySPWWEMXSOZXJKL-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate

methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate (PubChem CID 126828050) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate
PubChem CID126828050
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate
SMILESCCC=C(F)C(=O)N1CCC(CC(=O)OC)CC1
InChIInChI=1S/C13H20FNO3/c1-3-4-11(14)13(17)15-7-5-10(6-8-15)9-12(16)18-2/h4,10H,3,5-9H2,1-2H3
InChIKeySPWWEMXSOZXJKL-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate (CID 126828050) is methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate is CCC=C(F)C(=O)N1CCC(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate?
The InChIKey is SPWWEMXSOZXJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-3-4-11(14)13(17)15-7-5-10(6-8-15)9-12(16)18-2/h4,10H,3,5-9H2,1-2H3.
What are the key properties of methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate?
methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate has a molecular weight of 257.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-fluoropent-2-enoyl)piperidin-4-yl]acetate is sourced from PubChem (CID 126828050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).