methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate

C18H20FN3O3 — CID 133487964

IUPACmethyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1OC
InChIInChI=1S/C18H20FN3O3/c1-24-17-13(18(23)25-2)7-8-16(20-17)22-11-9-21(10-12-22)15-6-4-3-5-14(15)19/h3-8H,9-12H2,1-2H3
InChIKeyOKHUSTIVIVWMDU-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.34
Rot. Bonds4

About methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate

methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate (PubChem CID 133487964) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
PubChem CID133487964
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Namemethyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1OC
InChIInChI=1S/C18H20FN3O3/c1-24-17-13(18(23)25-2)7-8-16(20-17)22-11-9-21(10-12-22)15-6-4-3-5-14(15)19/h3-8H,9-12H2,1-2H3
InChIKeyOKHUSTIVIVWMDU-UHFFFAOYSA-N
XLogP2.34
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-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

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133490158
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133491968
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 51119286
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
2-methoxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 68740181
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate
CID 79896494
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate (CID 133487964) is methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1OC.
What is the InChIKey of methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate?
The InChIKey is OKHUSTIVIVWMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-24-17-13(18(23)25-2)7-8-16(20-17)22-11-9-21(10-12-22)15-6-4-3-5-14(15)19/h3-8H,9-12H2,1-2H3.
What are the key properties of methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate?
methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133487964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).