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

C20H23N3O4 — CID 18918578

IUPAC2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
SMILESCc1cc(C(=O)CN2CCN(c3ccncc3)CC2)ccc1OCC(=O)O
InChIInChI=1S/C20H23N3O4/c1-15-12-16(2-3-19(15)27-14-20(25)26)18(24)13-22-8-10-23(11-9-22)17-4-6-21-7-5-17/h2-7,12H,8-11,13-14H2,1H3,(H,25,26)
InChIKeyFUCJUZGOWHOPMU-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.86
Rot. Bonds7

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

2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid (PubChem CID 18918578) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
PubChem CID18918578
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
SMILESCc1cc(C(=O)CN2CCN(c3ccncc3)CC2)ccc1OCC(=O)O
InChIInChI=1S/C20H23N3O4/c1-15-12-16(2-3-19(15)27-14-20(25)26)18(24)13-22-8-10-23(11-9-22)17-4-6-21-7-5-17/h2-7,12H,8-11,13-14H2,1H3,(H,25,26)
InChIKeyFUCJUZGOWHOPMU-UHFFFAOYSA-N
XLogP1.86
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18918247
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-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]ethanethioic S-acid
CID 18918526
2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 93192549
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
CID 82051495
ethyl 2-[3-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate
CID 18918412
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid (CID 18918578) is 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid is Cc1cc(C(=O)CN2CCN(c3ccncc3)CC2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
The InChIKey is FUCJUZGOWHOPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15-12-16(2-3-19(15)27-14-20(25)26)18(24)13-22-8-10-23(11-9-22)17-4-6-21-7-5-17/h2-7,12H,8-11,13-14H2,1H3,(H,25,26).
What are the key properties of 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid?
2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid is sourced from PubChem (CID 18918578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).