4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid

C22H24N4O5 — CID 67616289

IUPAC4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESO=C(NCCO)c1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)O)CC3)cn2)c1
InChIInChI=1S/C22H24N4O5/c27-12-8-23-21(28)16-1-3-19-15(13-16)5-11-26(19)20-4-2-18(14-24-20)31-17-6-9-25(10-7-17)22(29)30/h1-5,11,13-14,17,27H,6-10,12H2,(H,23,28)(H,29,30)
InChIKeyVQRGXCZLQFRLNQ-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.27
Rot. Bonds6

About 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid

4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 67616289) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID67616289
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESO=C(NCCO)c1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)O)CC3)cn2)c1
InChIInChI=1S/C22H24N4O5/c27-12-8-23-21(28)16-1-3-19-15(13-16)5-11-26(19)20-4-2-18(14-24-20)31-17-6-9-25(10-7-17)22(29)30/h1-5,11,13-14,17,27H,6-10,12H2,(H,23,28)(H,29,30)
InChIKeyVQRGXCZLQFRLNQ-UHFFFAOYSA-N
XLogP2.27
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 158631586
pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
CID 67615763
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
CID 67616611
propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate
CID 158766134
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766
3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 67617483

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 67616289) is 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid is O=C(NCCO)c1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)O)CC3)cn2)c1.
What is the InChIKey of 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is VQRGXCZLQFRLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c27-12-8-23-21(28)16-1-3-19-15(13-16)5-11-26(19)20-4-2-18(14-24-20)31-17-6-9-25(10-7-17)22(29)30/h1-5,11,13-14,17,27H,6-10,12H2,(H,23,28)(H,29,30).
What are the key properties of 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 424.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 67616289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).