methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate

C14H16FNO3 — CID 106698789

IUPACmethyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCCC2=O)cc1F
InChIInChI=1S/C14H16FNO3/c1-19-14(18)11-6-5-10(8-12(11)15)9-16-7-3-2-4-13(16)17/h5-6,8H,2-4,7,9H2,1H3
InChIKeyKMSQPKVXCCNURR-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate

methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate (PubChem CID 106698789) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate
PubChem CID106698789
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCCC2=O)cc1F
InChIInChI=1S/C14H16FNO3/c1-19-14(18)11-6-5-10(8-12(11)15)9-16-7-3-2-4-13(16)17/h5-6,8H,2-4,7,9H2,1H3
InChIKeyKMSQPKVXCCNURR-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate 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-fluoro-4-[(2-oxoazepan-1-yl)methyl]benzoate
CID 106698768
2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788
methyl 4-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzoate
CID 106698803
methyl 2-amino-4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 67514430
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
methyl 2-nitro-5-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 67528532
methyl 2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoate
CID 106699045
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
methyl 2-fluoro-4-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate
CID 113340195
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371
methyl 4-[(3-carbamoylpyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 103749383
4-[(5-ethyl-2-oxoazepan-1-yl)methyl]-2-fluorobenzoic acid
CID 106698866

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate (CID 106698789) is methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate is COC(=O)c1ccc(CN2CCCCC2=O)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate?
The InChIKey is KMSQPKVXCCNURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-19-14(18)11-6-5-10(8-12(11)15)9-16-7-3-2-4-13(16)17/h5-6,8H,2-4,7,9H2,1H3.
What are the key properties of methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate?
methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate has a molecular weight of 265.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate is sourced from PubChem (CID 106698789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).