methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate

C18H24FNO4 — CID 78901290

IUPACmethyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H24FNO4/c1-18(2,24-15-9-7-13(19)8-10-15)17(22)20-11-5-4-6-14(20)12-16(21)23-3/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyTUPGWFYQFJQEKY-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate (PubChem CID 78901290) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
PubChem CID78901290
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Namemethyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H24FNO4/c1-18(2,24-15-9-7-13(19)8-10-15)17(22)20-11-5-4-6-14(20)12-16(21)23-3/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyTUPGWFYQFJQEKY-UHFFFAOYSA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate 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 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-methyl-2-(4-methylphenoxy)propan-1-one
CID 70739489
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
methyl 2-[1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]piperidin-2-yl]acetate
CID 15986844
2-(4-chlorophenoxy)-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 2937910
2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate (CID 78901290) is methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate?
The InChIKey is TUPGWFYQFJQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-18(2,24-15-9-7-13(19)8-10-15)17(22)20-11-5-4-6-14(20)12-16(21)23-3/h7-10,14H,4-6,11-12H2,1-3H3.
What are the key properties of methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate has a molecular weight of 337.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 78901290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).