methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate

C15H18FNO4 — CID 78918965

IUPACmethyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO4/c1-20-15(19)11-3-2-8-17(9-11)14(18)10-21-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeySDSIDXJWGHPOQL-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.62
Rot. Bonds4

About methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate

methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate (PubChem CID 78918965) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
PubChem CID78918965
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO4/c1-20-15(19)11-3-2-8-17(9-11)14(18)10-21-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeySDSIDXJWGHPOQL-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 90608786
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
CID 119109496
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate (CID 78918965) is methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)COc2ccc(F)cc2)C1.
What is the InChIKey of methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is SDSIDXJWGHPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-20-15(19)11-3-2-8-17(9-11)14(18)10-21-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate?
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78918965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).