5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one

C16H21ClN2O2 — CID 103498520

IUPAC5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC(C)C1CCN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1
InChIInChI=1S/C16H21ClN2O2/c1-9(2)10-3-5-19(6-4-10)14-8-13-11(7-12(14)17)15(20)16(21)18-13/h7-10,15,20H,3-6H2,1-2H3,(H,18,21)
InChIKeyWKVYECWKASIQDK-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.20
Rot. Bonds2

About 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 103498520) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID103498520
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC(C)C1CCN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1
InChIInChI=1S/C16H21ClN2O2/c1-9(2)10-3-5-19(6-4-10)14-8-13-11(7-12(14)17)15(20)16(21)18-13/h7-10,15,20H,3-6H2,1-2H3,(H,18,21)
InChIKeyWKVYECWKASIQDK-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.20
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

6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-chloro-3-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 79336696
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335937
5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 106836471
5-chloro-6-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 107456625
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 115560542
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889556
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349
5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 79335932

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 103498520) is 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one is CC(C)C1CCN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1.
What is the InChIKey of 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is WKVYECWKASIQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-9(2)10-3-5-19(6-4-10)14-8-13-11(7-12(14)17)15(20)16(21)18-13/h7-10,15,20H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 103498520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).