2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid

C22H25N3O4 — CID 19610469

IUPAC2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCN(CC(O)COc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C22H25N3O4/c26-16(15-29-21-7-3-5-19-17(21)8-9-23-19)14-24-10-12-25(13-11-24)20-6-2-1-4-18(20)22(27)28/h1-9,16,23,26H,10-15H2,(H,27,28)
InChIKeyJIIGQZYIXYBGRN-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.43
Rot. Bonds7

About 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid

2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid (PubChem CID 19610469) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
PubChem CID19610469
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCN(CC(O)COc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C22H25N3O4/c26-16(15-29-21-7-3-5-19-17(21)8-9-23-19)14-24-10-12-25(13-11-24)20-6-2-1-4-18(20)22(27)28/h1-9,16,23,26H,10-15H2,(H,27,28)
InChIKeyJIIGQZYIXYBGRN-UHFFFAOYSA-N
XLogP2.43
TPSA89.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid 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

(2S)-1-(3,3-diphenylpyrrolidin-1-yl)-3-(1H-indol-4-yloxy)propan-2-ol;oxalic acid
CID 131719694
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
CID 22867041
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
2-[(2S)-1-(1H-indol-4-yloxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxy-2-oxoacetic acid
CID 57047527
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
CID 73348151
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342
(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
CID 70216330
1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-(6-propan-2-yloxynaphthalen-2-yl)piperidin-4-ol
CID 67573754
1-naphthalen-1-yloxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 46798078
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid?
The IUPAC name of 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid (CID 19610469) is 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid.
What is the SMILES notation for 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid?
The canonical SMILES for 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid is O=C(O)c1ccccc1N1CCN(CC(O)COc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid?
The InChIKey is JIIGQZYIXYBGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-16(15-29-21-7-3-5-19-17(21)8-9-23-19)14-24-10-12-25(13-11-24)20-6-2-1-4-18(20)22(27)28/h1-9,16,23,26H,10-15H2,(H,27,28).
What are the key properties of 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid?
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid has a molecular weight of 395.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid is sourced from PubChem (CID 19610469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).