1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid

C15H18N2O3 — CID 80565554

IUPAC1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C15H18N2O3/c18-14(17-7-3-4-10(9-17)15(19)20)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,19,20)
InChIKeyVOWUGEGKZKGFJT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.52
Rot. Bonds2

About 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid

1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 80565554) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID80565554
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C15H18N2O3/c18-14(17-7-3-4-10(9-17)15(19)20)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,19,20)
InChIKeyVOWUGEGKZKGFJT-UHFFFAOYSA-N
XLogP1.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
(3S)-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 81121194
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 80565967
(3R)-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)piperidine-3-carboxylic acid
CID 81127897
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231
2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 80566178

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid (CID 80565554) is 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CNc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VOWUGEGKZKGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(17-7-3-4-10(9-17)15(19)20)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 80565554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).