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

C15H20ClN3O — CID 79349803

IUPAC3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCC1CCCN(c2cc3c(cc2Cl)C(N)C(=O)N3)C1
InChIInChI=1S/C15H20ClN3O/c1-2-9-4-3-5-19(8-9)13-7-12-10(6-11(13)16)14(17)15(20)18-12/h6-7,9,14H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyFSWBCGSFZOVPBI-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.92
Rot. Bonds2

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

3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 79349803) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID79349803
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCC1CCCN(c2cc3c(cc2Cl)C(N)C(=O)N3)C1
InChIInChI=1S/C15H20ClN3O/c1-2-9-4-3-5-19(8-9)13-7-12-10(6-11(13)16)14(17)15(20)18-12/h6-7,9,14H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyFSWBCGSFZOVPBI-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 79349803) is 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one is CCC1CCCN(c2cc3c(cc2Cl)C(N)C(=O)N3)C1.
What is the InChIKey of 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is FSWBCGSFZOVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-9-4-3-5-19(8-9)13-7-12-10(6-11(13)16)14(17)15(20)18-12/h6-7,9,14H,2-5,8,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 293.80 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).