4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole

C17H27N3 — CID 164933869

IUPAC4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
SMILESCN1CCN(c2ccc(C(C)(C)C)c3c2NCC3)CC1
InChIInChI=1S/C17H27N3/c1-17(2,3)14-5-6-15(16-13(14)7-8-18-16)20-11-9-19(4)10-12-20/h5-6,18H,7-12H2,1-4H3
InChIKeyMOOYNFKXZPZINT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.70
Rot. Bonds1

About 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole

4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole (PubChem CID 164933869) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
PubChem CID164933869
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
SMILESCN1CCN(c2ccc(C(C)(C)C)c3c2NCC3)CC1
InChIInChI=1S/C17H27N3/c1-17(2,3)14-5-6-15(16-13(14)7-8-18-16)20-11-9-19(4)10-12-20/h5-6,18H,7-12H2,1-4H3
InChIKeyMOOYNFKXZPZINT-UHFFFAOYSA-N
XLogP2.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole 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 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole (CID 164933869) is 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole is CN1CCN(c2ccc(C(C)(C)C)c3c2NCC3)CC1.
What is the InChIKey of 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is MOOYNFKXZPZINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,3)14-5-6-15(16-13(14)7-8-18-16)20-11-9-19(4)10-12-20/h5-6,18H,7-12H2,1-4H3.
What are the key properties of 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 273.42 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 164933869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).