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

C16H22ClN3O — CID 114593690

IUPAC3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1CC(C)C(C)N(c2cc3c(cc2Cl)C(N)C(=O)N3)C1
InChIInChI=1S/C16H22ClN3O/c1-8-4-9(2)10(3)20(7-8)14-6-13-11(5-12(14)17)15(18)16(21)19-13/h5-6,8-10,15H,4,7,18H2,1-3H3,(H,19,21)
InChIKeyHBRAXFAUSLJBCE-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.16
Rot. Bonds1

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

3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 114593690) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID114593690
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1CC(C)C(C)N(c2cc3c(cc2Cl)C(N)C(=O)N3)C1
InChIInChI=1S/C16H22ClN3O/c1-8-4-9(2)10(3)20(7-8)14-6-13-11(5-12(14)17)15(18)16(21)19-13/h5-6,8-10,15H,4,7,18H2,1-3H3,(H,19,21)
InChIKeyHBRAXFAUSLJBCE-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 114593690) is 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one is CC1CC(C)C(C)N(c2cc3c(cc2Cl)C(N)C(=O)N3)C1.
What is the InChIKey of 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is HBRAXFAUSLJBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-8-4-9(2)10(3)20(7-8)14-6-13-11(5-12(14)17)15(18)16(21)19-13/h5-6,8-10,15H,4,7,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 307.83 g/mol, XLogP of 3.16, 1 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-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114593690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).