1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid

C21H30N2O3 — CID 82260327

IUPAC1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCCCC(=O)N1CCc2cc(CCN3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C21H30N2O3/c1-2-3-4-20(24)23-14-10-18-15-16(5-6-19(18)23)7-11-22-12-8-17(9-13-22)21(25)26/h5-6,15,17H,2-4,7-14H2,1H3,(H,25,26)
InChIKeyIEYUZVYWWQPXHV-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.11
Rot. Bonds7

About 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid

1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 82260327) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID82260327
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCCCC(=O)N1CCc2cc(CCN3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C21H30N2O3/c1-2-3-4-20(24)23-14-10-18-15-16(5-6-19(18)23)7-11-22-12-8-17(9-13-22)21(25)26/h5-6,15,17H,2-4,7-14H2,1H3,(H,25,26)
InChIKeyIEYUZVYWWQPXHV-UHFFFAOYSA-N
XLogP3.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82259566
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
1-[5-(2-bromo-2-methylpropanoyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82258935
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82260573
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid (CID 82260327) is 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid is CCCCC(=O)N1CCc2cc(CCN3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is IEYUZVYWWQPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-3-4-20(24)23-14-10-18-15-16(5-6-19(18)23)7-11-22-12-8-17(9-13-22)21(25)26/h5-6,15,17H,2-4,7-14H2,1H3,(H,25,26).
What are the key properties of 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid?
1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 358.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82260327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).