1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one

C13H19N3O — CID 83022992

IUPAC1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one
SMILESCN1CCN(n2ccc3c2CCCC3=O)CC1
InChIInChI=1S/C13H19N3O/c1-14-7-9-15(10-8-14)16-6-5-11-12(16)3-2-4-13(11)17/h5-6H,2-4,7-10H2,1H3
InChIKeyIYHNSQQRJNGQBM-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.89
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one

1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one (PubChem CID 83022992) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one
PubChem CID83022992
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one
SMILESCN1CCN(n2ccc3c2CCCC3=O)CC1
InChIInChI=1S/C13H19N3O/c1-14-7-9-15(10-8-14)16-6-5-11-12(16)3-2-4-13(11)17/h5-6H,2-4,7-10H2,1H3
InChIKeyIYHNSQQRJNGQBM-UHFFFAOYSA-N
XLogP0.89
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one (CID 83022992) is 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one is CN1CCN(n2ccc3c2CCCC3=O)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is IYHNSQQRJNGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-7-9-15(10-8-14)16-6-5-11-12(16)3-2-4-13(11)17/h5-6H,2-4,7-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one?
1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 233.31 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 83022992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).