4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid

C16H20N2O2 — CID 67084567

IUPAC4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCn2ccc3ccccc32)CC1
InChIInChI=1S/C16H20N2O2/c19-16(20)18-10-6-13(7-11-18)5-9-17-12-8-14-3-1-2-4-15(14)17/h1-4,8,12-13H,5-7,9-11H2,(H,19,20)
InChIKeyCSJUZBDIGIEYNK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.42
Rot. Bonds3

About 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid

4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid (PubChem CID 67084567) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid
PubChem CID67084567
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCn2ccc3ccccc32)CC1
InChIInChI=1S/C16H20N2O2/c19-16(20)18-10-6-13(7-11-18)5-9-17-12-8-14-3-1-2-4-15(14)17/h1-4,8,12-13H,5-7,9-11H2,(H,19,20)
InChIKeyCSJUZBDIGIEYNK-UHFFFAOYSA-N
XLogP3.42
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
4-indol-1-yl-2,2-dimethylbutanoic acid
CID 65248466
1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole
CID 91188508
4-indol-1-ylpiperazine-1-carboxylic acid
CID 174415288
1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
CID 71805982
1-(2-phenylethyl)indole
CID 12601752
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
acetic acid;1-butylindole
CID 162326365
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 71899042

Frequently Asked Questions

What is the IUPAC name of 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid (CID 67084567) is 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CCn2ccc3ccccc32)CC1.
What is the InChIKey of 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid?
The InChIKey is CSJUZBDIGIEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20)18-10-6-13(7-11-18)5-9-17-12-8-14-3-1-2-4-15(14)17/h1-4,8,12-13H,5-7,9-11H2,(H,19,20).
What are the key properties of 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid?
4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67084567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).