ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate

C19H24FNO6 — CID 55378993

IUPACethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2ccc(OC)cc2F)CC1
InChIInChI=1S/C19H24FNO6/c1-4-26-18(23)13-7-9-21(10-8-13)17(22)12(2)27-19(24)15-6-5-14(25-3)11-16(15)20/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyURWBLTNLMLYLCD-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.18
Rot. Bonds6

About ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate

ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate (PubChem CID 55378993) has the molecular formula C19H24FNO6 and a molecular weight of 381.40 g/mol. Its IUPAC name is ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
PubChem CID55378993
Molecular FormulaC19H24FNO6
Molecular Weight381.40 g/mol
Exact Mass381.16
IUPAC Nameethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2ccc(OC)cc2F)CC1
InChIInChI=1S/C19H24FNO6/c1-4-26-18(23)13-7-9-21(10-8-13)17(22)12(2)27-19(24)15-6-5-14(25-3)11-16(15)20/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyURWBLTNLMLYLCD-UHFFFAOYSA-N
XLogP2.18
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-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

ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate
CID 55307202
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887835
ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55380370
ethyl 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 55406560
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 7500336
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55391731
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-fluoro-4-methoxybenzoate
CID 8837625

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate (CID 55378993) is ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2ccc(OC)cc2F)CC1.
What is the InChIKey of ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is URWBLTNLMLYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO6/c1-4-26-18(23)13-7-9-21(10-8-13)17(22)12(2)27-19(24)15-6-5-14(25-3)11-16(15)20/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 381.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55378993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).