1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid

C16H22N2O2 — CID 82255755

IUPAC1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCc2ccc3c(c2)CCN3)C1
InChIInChI=1S/C16H22N2O2/c19-16(20)14-2-1-8-18(11-14)9-6-12-3-4-15-13(10-12)5-7-17-15/h3-4,10,14,17H,1-2,5-9,11H2,(H,19,20)
InChIKeyDZXNRJBWHDONHU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid

1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82255755) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID82255755
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCc2ccc3c(c2)CCN3)C1
InChIInChI=1S/C16H22N2O2/c19-16(20)14-2-1-8-18(11-14)9-6-12-3-4-15-13(10-12)5-7-17-15/h3-4,10,14,17H,1-2,5-9,11H2,(H,19,20)
InChIKeyDZXNRJBWHDONHU-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773
1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260391
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 82255857
1-[2-(1-butanoyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260393
6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 82255709
1-[2-[1-(4-butylcyclohexanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]ethyl]piperidine-3-carboxylic acid
CID 82260403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid (CID 82255755) is 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCc2ccc3c(c2)CCN3)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is DZXNRJBWHDONHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20)14-2-1-8-18(11-14)9-6-12-3-4-15-13(10-12)5-7-17-15/h3-4,10,14,17H,1-2,5-9,11H2,(H,19,20).
What are the key properties of 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid?
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82255755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).