2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid

C20H23N3O5 — CID 18918247

IUPAC2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)CN2CCN(c3ccncc3)CC2)ccc1OCC(=O)O
InChIInChI=1S/C20H23N3O5/c1-27-19-12-15(2-3-18(19)28-14-20(25)26)17(24)13-22-8-10-23(11-9-22)16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3,(H,25,26)
InChIKeyPLPINDXNNDOMAX-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.56
Rot. Bonds8

About 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid

2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid (PubChem CID 18918247) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
PubChem CID18918247
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)CN2CCN(c3ccncc3)CC2)ccc1OCC(=O)O
InChIInChI=1S/C20H23N3O5/c1-27-19-12-15(2-3-18(19)28-14-20(25)26)17(24)13-22-8-10-23(11-9-22)16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3,(H,25,26)
InChIKeyPLPINDXNNDOMAX-UHFFFAOYSA-N
XLogP1.56
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18918578
methyl 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate
CID 18918268
2-[3-(carboxymethoxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18924090
[2-tert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl] acetate
CID 19030688
2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]acetic acid
CID 18918340
N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide
CID 18918579
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
ethyl 2-[3-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate
CID 18918412
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]ethanethioic S-acid
CID 18918526

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid (CID 18918247) is 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid is COc1cc(C(=O)CN2CCN(c3ccncc3)CC2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
The InChIKey is PLPINDXNNDOMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-19-12-15(2-3-18(19)28-14-20(25)26)17(24)13-22-8-10-23(11-9-22)16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3,(H,25,26).
What are the key properties of 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid has a molecular weight of 385.42 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid is sourced from PubChem (CID 18918247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).