4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid

C17H18FN3O4 — CID 68876059

IUPAC4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCOc1cccc(F)c1Oc1ncccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C17H18FN3O4/c1-24-14-6-2-4-12(18)15(14)25-16-13(5-3-7-19-16)20-8-10-21(11-9-20)17(22)23/h2-7H,8-11H2,1H3,(H,22,23)
InChIKeyYSOKYIVSFHCNMP-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.82
Rot. Bonds4

About 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid

4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 68876059) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid
PubChem CID68876059
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCOc1cccc(F)c1Oc1ncccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C17H18FN3O4/c1-24-14-6-2-4-12(18)15(14)25-16-13(5-3-7-19-16)20-8-10-21(11-9-20)17(22)23/h2-7H,8-11H2,1H3,(H,22,23)
InChIKeyYSOKYIVSFHCNMP-UHFFFAOYSA-N
XLogP2.82
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-chloro-6-fluorophenoxy)-3-pyridinyl]piperazine-1-carboxylic acid
CID 68873852
4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid
CID 68876308
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 134008379
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
[4-[6-(2-fluoro-6-methoxyphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3768060
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
CID 22330805
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid
CID 21073349

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid (CID 68876059) is 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid is COc1cccc(F)c1Oc1ncccc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is YSOKYIVSFHCNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-24-14-6-2-4-12(18)15(14)25-16-13(5-3-7-19-16)20-8-10-21(11-9-20)17(22)23/h2-7H,8-11H2,1H3,(H,22,23).
What are the key properties of 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid?
4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-6-methoxyphenoxy)-3-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68876059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).