1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione

C17H21N3O3 — CID 110344805

IUPAC1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
SMILESCN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H21N3O3/c1-19-6-8-20(9-7-19)17(23)5-4-15(21)12-2-3-14-13(10-12)11-16(22)18-14/h2-3,10H,4-9,11H2,1H3,(H,18,22)
InChIKeyJBLAJXNGZOAKLK-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.92
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione

1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione (PubChem CID 110344805) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
PubChem CID110344805
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
SMILESCN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H21N3O3/c1-19-6-8-20(9-7-19)17(23)5-4-15(21)12-2-3-14-13(10-12)11-16(22)18-14/h2-3,10H,4-9,11H2,1H3,(H,18,22)
InChIKeyJBLAJXNGZOAKLK-UHFFFAOYSA-N
XLogP0.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione with MolForge

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Related Compounds

N-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712665
1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-(3,3,5,5-tetramethylpiperazin-1-yl)butane-1,4-dione
CID 167922647
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
N-(2-morpholin-4-ylethyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344803
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344873
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate
CID 25264585
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 137349604
5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338604

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione (CID 110344805) is 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione is CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione?
The InChIKey is JBLAJXNGZOAKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-6-8-20(9-7-19)17(23)5-4-15(21)12-2-3-14-13(10-12)11-16(22)18-14/h2-3,10H,4-9,11H2,1H3,(H,18,22).
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione?
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione has a molecular weight of 315.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione is sourced from PubChem (CID 110344805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).