5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one

C15H20ClN3O2 — CID 79342697

IUPAC5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCC(O)CC3)c(Cl)cc21
InChIInChI=1S/C15H20ClN3O2/c1-2-17-14-10-7-11(16)13(8-12(10)18-15(14)21)19-5-3-9(20)4-6-19/h7-9,14,17,20H,2-6H2,1H3,(H,18,21)
InChIKeyKMKAYRAWCBBKBG-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one

5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 79342697) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID79342697
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCC(O)CC3)c(Cl)cc21
InChIInChI=1S/C15H20ClN3O2/c1-2-17-14-10-7-11(16)13(8-12(10)18-15(14)21)19-5-3-9(20)4-6-19/h7-9,14,17,20H,2-6H2,1H3,(H,18,21)
InChIKeyKMKAYRAWCBBKBG-UHFFFAOYSA-N
XLogP1.90
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349114
5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343879
5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342702
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
5-chloro-3-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 79336696
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 61420962
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342727
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one (CID 79342697) is 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CCC(O)CC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is KMKAYRAWCBBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-17-14-10-7-11(16)13(8-12(10)18-15(14)21)19-5-3-9(20)4-6-19/h7-9,14,17,20H,2-6H2,1H3,(H,18,21).
What are the key properties of 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 309.80 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).