1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid

C18H22N2O4 — CID 119251532

IUPAC1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCn1cc(CC(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C18H22N2O4/c1-2-19-12-13(14-5-3-4-6-15(14)19)11-16(21)20-9-7-18(24,8-10-20)17(22)23/h3-6,12,24H,2,7-11H2,1H3,(H,22,23)
InChIKeyZHYJAAUAHWSMBM-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251532) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251532
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCn1cc(CC(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C18H22N2O4/c1-2-19-12-13(14-5-3-4-6-15(14)19)11-16(21)20-9-7-18(24,8-10-20)17(22)23/h3-6,12,24H,2,7-11H2,1H3,(H,22,23)
InChIKeyZHYJAAUAHWSMBM-UHFFFAOYSA-N
XLogP1.64
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
2-(1-ethylindol-3-yl)-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 86874234
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131
2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 97060187
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 138036434
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
4-hydroxy-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119250768
4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119251628
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
CID 41108922
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251532) is 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid is CCn1cc(CC(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is ZHYJAAUAHWSMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-19-12-13(14-5-3-4-6-15(14)19)11-16(21)20-9-7-18(24,8-10-20)17(22)23/h3-6,12,24H,2,7-11H2,1H3,(H,22,23).
What are the key properties of 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).