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

C15H18N2O3 — CID 80565113

IUPAC1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CCCNC2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c18-14(10-4-3-7-16-8-10)17-9-12(15(19)20)11-5-1-2-6-13(11)17/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,19,20)
InChIKeyCNYIJFXKGLEDBM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.20
Rot. Bonds2

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

1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565113) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565113
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CCCNC2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c18-14(10-4-3-7-16-8-10)17-9-12(15(19)20)11-5-1-2-6-13(11)17/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,19,20)
InChIKeyCNYIJFXKGLEDBM-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901890
2-[(3S)-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 81133829
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564509
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124574096
4-[(3S)-piperidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 81133693
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691103
(3R)-1-[(3R)-2,3-dihydro-1-benzothiophene-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609729
1-(2-cyclohexylcyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691143
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80565113) is 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)C2CCCNC2)c2ccccc21.
What is the InChIKey of 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is CNYIJFXKGLEDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(10-4-3-7-16-8-10)17-9-12(15(19)20)11-5-1-2-6-13(11)17/h1-2,5-6,10,12,16H,3-4,7-9H2,(H,19,20).
What are the key properties of 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).