2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid

C24H25N3O4 — CID 141306520

IUPAC2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2cccc(CN3CCN(c4ncccc4C(=O)O)CC3)c2)cc1
InChIInChI=1S/C24H25N3O4/c1-30-19-7-9-20(10-8-19)31-21-5-2-4-18(16-21)17-26-12-14-27(15-13-26)23-22(24(28)29)6-3-11-25-23/h2-11,16H,12-15,17H2,1H3,(H,28,29)
InChIKeyCZIJSYNSLMYRSM-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.90
Rot. Bonds7

About 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid

2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 141306520) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID141306520
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2cccc(CN3CCN(c4ncccc4C(=O)O)CC3)c2)cc1
InChIInChI=1S/C24H25N3O4/c1-30-19-7-9-20(10-8-19)31-21-5-2-4-18(16-21)17-26-12-14-27(15-13-26)23-22(24(28)29)6-3-11-25-23/h2-11,16H,12-15,17H2,1H3,(H,28,29)
InChIKeyCZIJSYNSLMYRSM-UHFFFAOYSA-N
XLogP3.90
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-[4-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306618
2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 18536272
propan-2-yl 2-[4-[[3-[(2,5-dimethoxyphenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67324269
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
8-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171692683
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
2-[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306651
2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 2838087
propan-2-yl 2-[4-[[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67322731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 141306520) is 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid is COc1ccc(Oc2cccc(CN3CCN(c4ncccc4C(=O)O)CC3)c2)cc1.
What is the InChIKey of 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CZIJSYNSLMYRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-19-7-9-20(10-8-19)31-21-5-2-4-18(16-21)17-26-12-14-27(15-13-26)23-22(24(28)29)6-3-11-25-23/h2-11,16H,12-15,17H2,1H3,(H,28,29).
What are the key properties of 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid?
2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 419.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-methoxyphenoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141306520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).