4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid

C24H28N2O5 — CID 21327275

IUPAC4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1
InChIInChI=1S/C24H28N2O5/c27-18(16-31-23-8-4-7-21-20(23)13-22(25-21)24(28)29)14-26-11-9-17(10-12-26)15-30-19-5-2-1-3-6-19/h1-8,13,17-18,25,27H,9-12,14-16H2,(H,28,29)
InChIKeyKYTKOICHKHPBQK-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.40
Rot. Bonds9

About 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid

4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid (PubChem CID 21327275) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
PubChem CID21327275
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1
InChIInChI=1S/C24H28N2O5/c27-18(16-31-23-8-4-7-21-20(23)13-22(25-21)24(28)29)14-26-11-9-17(10-12-26)15-30-19-5-2-1-3-6-19/h1-8,13,17-18,25,27H,9-12,14-16H2,(H,28,29)
InChIKeyKYTKOICHKHPBQK-UHFFFAOYSA-N
XLogP3.40
TPSA95.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide
CID 154004811
benzoic acid;1-[[2-(hydroxymethyl)-1H-indol-4-yl]oxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol
CID 21327281
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
4-[2-hydroxy-3-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 20570842
[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 22729278
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 172763054
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(cyclobutylmethoxy)-1H-indole-2-carboxylic acid
CID 158124989
4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol
CID 152625181
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
ethyl 7-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;7-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylic acid;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-methylindole-2-carboxylic acid
CID 158935150

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid (CID 21327275) is 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(OCC(O)CN3CCC(COc4ccccc4)CC3)cccc2[nH]1.
What is the InChIKey of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid?
The InChIKey is KYTKOICHKHPBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c27-18(16-31-23-8-4-7-21-20(23)13-22(25-21)24(28)29)14-26-11-9-17(10-12-26)15-30-19-5-2-1-3-6-19/h1-8,13,17-18,25,27H,9-12,14-16H2,(H,28,29).
What are the key properties of 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid?
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 21327275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).