7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione

C17H22N2O2 — CID 107912779

IUPAC7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
SMILESCc1cccc2c1N(CCC1CCCCN1C)C(=O)C2=O
InChIInChI=1S/C17H22N2O2/c1-12-6-5-8-14-15(12)19(17(21)16(14)20)11-9-13-7-3-4-10-18(13)2/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyHVRIOBRBKDLWET-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.40
Rot. Bonds3

About 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione

7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione (PubChem CID 107912779) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
PubChem CID107912779
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
SMILESCc1cccc2c1N(CCC1CCCCN1C)C(=O)C2=O
InChIInChI=1S/C17H22N2O2/c1-12-6-5-8-14-15(12)19(17(21)16(14)20)11-9-13-7-3-4-10-18(13)2/h5-6,8,13H,3-4,7,9-11H2,1-2H3
InChIKeyHVRIOBRBKDLWET-UHFFFAOYSA-N
XLogP2.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
CID 107912778
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1,3-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]pyrazolo[5,4-b][1,4]benzoxazepin-5-one
CID 23820802
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495
tert-butyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 116662664
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
The IUPAC name of 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione (CID 107912779) is 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione is Cc1cccc2c1N(CCC1CCCCN1C)C(=O)C2=O.
What is the InChIKey of 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
The InChIKey is HVRIOBRBKDLWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-8-14-15(12)19(17(21)16(14)20)11-9-13-7-3-4-10-18(13)2/h5-6,8,13H,3-4,7,9-11H2,1-2H3.
What are the key properties of 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione has a molecular weight of 286.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 107912779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).