3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one

C14H20N4O — CID 63609206

IUPAC3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2ccc3c(c2)NC(=O)C3N)CCN1C
InChIInChI=1S/C14H20N4O/c1-9-8-18(6-5-17(9)2)10-3-4-11-12(7-10)16-14(19)13(11)15/h3-4,7,9,13H,5-6,8,15H2,1-2H3,(H,16,19)
InChIKeyCGTNTBBEAMFTPR-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.78
Rot. Bonds1

About 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one

3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 63609206) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one
PubChem CID63609206
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2ccc3c(c2)NC(=O)C3N)CCN1C
InChIInChI=1S/C14H20N4O/c1-9-8-18(6-5-17(9)2)10-3-4-11-12(7-10)16-14(19)13(11)15/h3-4,7,9,13H,5-6,8,15H2,1-2H3,(H,16,19)
InChIKeyCGTNTBBEAMFTPR-UHFFFAOYSA-N
XLogP0.78
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one (CID 63609206) is 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one is CC1CN(c2ccc3c(c2)NC(=O)C3N)CCN1C.
What is the InChIKey of 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is CGTNTBBEAMFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-8-18(6-5-17(9)2)10-3-4-11-12(7-10)16-14(19)13(11)15/h3-4,7,9,13H,5-6,8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one?
3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 260.34 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63609206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).