1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

C16H20N2O2 — CID 47335819

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C16H20N2O2/c1-12-5-4-9-17(11-12)15(19)16(20)18-10-8-13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyCRIHCIXZULYSMB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds

About 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 47335819) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID47335819
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C16H20N2O2/c1-12-5-4-9-17(11-12)15(19)16(20)18-10-8-13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyCRIHCIXZULYSMB-UHFFFAOYSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108505638
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2,3-dihydroindole-1-carboxamide
CID 60576930
1-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-2-(2,3-dihydroindol-1-yl)ethane-1,2-dione
CID 95205233
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108505743
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
N-[(3R)-1-(2,3-dihydroindole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 124861937
(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597531
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656081

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (CID 47335819) is 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCCN(C(=O)C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is CRIHCIXZULYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-5-4-9-17(11-12)15(19)16(20)18-10-8-13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 272.35 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 47335819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).