1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C16H18N2O4 — CID 120691103

IUPAC1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCN1CCC(C(=O)N2CC(C(=O)O)c3ccccc32)CC1=O
InChIInChI=1S/C16H18N2O4/c1-17-7-6-10(8-14(17)19)15(20)18-9-12(16(21)22)11-4-2-3-5-13(11)18/h2-5,10,12H,6-9H2,1H3,(H,21,22)
InChIKeyAKOPQSLAAIDTET-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.07
Rot. Bonds2

About 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691103) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691103
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCN1CCC(C(=O)N2CC(C(=O)O)c3ccccc32)CC1=O
InChIInChI=1S/C16H18N2O4/c1-17-7-6-10(8-14(17)19)15(20)18-9-12(16(21)22)11-4-2-3-5-13(11)18/h2-5,10,12H,6-9H2,1H3,(H,21,22)
InChIKeyAKOPQSLAAIDTET-UHFFFAOYSA-N
XLogP1.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564509
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124574096
1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691372
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
tert-butyl 1-(1-methyl-2-oxopiperidine-4-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxylate
CID 166179054
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
(4S)-4-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]-1-methylpiperidin-2-one
CID 124777577
1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691440

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691103) is 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CN1CCC(C(=O)N2CC(C(=O)O)c3ccccc32)CC1=O.
What is the InChIKey of 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is AKOPQSLAAIDTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17-7-6-10(8-14(17)19)15(20)18-9-12(16(21)22)11-4-2-3-5-13(11)18/h2-5,10,12H,6-9H2,1H3,(H,21,22).
What are the key properties of 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).