5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C16H22ClN3O — CID 79342727

IUPAC5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCC1CCCCN1c1cc2c(cc1Cl)C(NC)C(=O)N2
InChIInChI=1S/C16H22ClN3O/c1-3-10-6-4-5-7-20(10)14-9-13-11(8-12(14)17)15(18-2)16(21)19-13/h8-10,15,18H,3-7H2,1-2H3,(H,19,21)
InChIKeyUGJOYSYUFPNDAN-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79342727) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79342727
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCCC1CCCCN1c1cc2c(cc1Cl)C(NC)C(=O)N2
InChIInChI=1S/C16H22ClN3O/c1-3-10-6-4-5-7-20(10)14-9-13-11(8-12(14)17)15(18-2)16(21)19-13/h8-10,15,18H,3-7H2,1-2H3,(H,19,21)
InChIKeyUGJOYSYUFPNDAN-UHFFFAOYSA-N
XLogP3.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342702
5-chloro-6-(2-ethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336366
5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349114
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 79335932
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343879
5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349534
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349354
5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79348594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 79342727) is 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CCC1CCCCN1c1cc2c(cc1Cl)C(NC)C(=O)N2.
What is the InChIKey of 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is UGJOYSYUFPNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-10-6-4-5-7-20(10)14-9-13-11(8-12(14)17)15(18-2)16(21)19-13/h8-10,15,18H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 307.82 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).