5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione

C15H18ClN3O2 — CID 79342976

IUPAC5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
SMILESCN(C)C1CCCN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1
InChIInChI=1S/C15H18ClN3O2/c1-18(2)9-4-3-5-19(8-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-7,9H,3-5,8H2,1-2H3,(H,17,20,21)
InChIKeyGADWQVICJGJQRH-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.01
Rot. Bonds2

About 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione

5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione (PubChem CID 79342976) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
PubChem CID79342976
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
SMILESCN(C)C1CCCN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1
InChIInChI=1S/C15H18ClN3O2/c1-18(2)9-4-3-5-19(8-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-7,9H,3-5,8H2,1-2H3,(H,17,20,21)
InChIKeyGADWQVICJGJQRH-UHFFFAOYSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione with MolForge

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Related Compounds

5-chloro-6-(4,4-dimethylazepan-1-yl)-1H-indole-2,3-dione
CID 79342974
5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 104958978
5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336233
5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336164
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 79026265
5-chloro-6-[methyl(thiolan-3-yl)amino]-1H-indole-2,3-dione
CID 79336016
5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 79342508
5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79335956
5-bromo-6-(4-ethylazepan-1-yl)-1H-indole-2,3-dione
CID 79343459
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393186
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957980
5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
CID 81452606

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione (CID 79342976) is 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione is CN(C)C1CCCN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1.
What is the InChIKey of 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione?
The InChIKey is GADWQVICJGJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18(2)9-4-3-5-19(8-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-7,9H,3-5,8H2,1-2H3,(H,17,20,21).
What are the key properties of 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione?
5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione has a molecular weight of 307.78 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione is sourced from PubChem (CID 79342976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).