1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C15H18N2O3 — CID 61181121

IUPAC1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)N1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-14(19)12-4-5-13-11(10-12)6-9-17(13)15(20)16-7-2-1-3-8-16/h4-5,10H,1-3,6-9H2,(H,18,19)
InChIKeyAPMQHXWEAXVAMP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.35
Rot. Bonds1

About 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61181121) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID61181121
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)N1CCCCC1
InChIInChI=1S/C15H18N2O3/c18-14(19)12-4-5-13-11(10-12)6-9-17(13)15(20)16-7-2-1-3-8-16/h4-5,10H,1-3,6-9H2,(H,18,19)
InChIKeyAPMQHXWEAXVAMP-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61200335
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61209571
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 61181121) is 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)N1CCCCC1.
What is the InChIKey of 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is APMQHXWEAXVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)12-4-5-13-11(10-12)6-9-17(13)15(20)16-7-2-1-3-8-16/h4-5,10H,1-3,6-9H2,(H,18,19).
What are the key properties of 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61181121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).