2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C22H28N4O2 — CID 45271284

IUPAC2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C(N)=O)c(N3CCNCC3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C22H28N4O2/c1-14-13-26(18-11-22(2,3)12-19(27)20(14)18)15-4-5-16(21(23)28)17(10-15)25-8-6-24-7-9-25/h4-5,10,13,24H,6-9,11-12H2,1-3H3,(H2,23,28)
InChIKeyNSOZPPFBKUFLAJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.45
Rot. Bonds3

About 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 45271284) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID45271284
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C(N)=O)c(N3CCNCC3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C22H28N4O2/c1-14-13-26(18-11-22(2,3)12-19(27)20(14)18)15-4-5-16(21(23)28)17(10-15)25-8-6-24-7-9-25/h4-5,10,13,24H,6-9,11-12H2,1-3H3,(H2,23,28)
InChIKeyNSOZPPFBKUFLAJ-UHFFFAOYSA-N
XLogP2.45
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 45271284) is 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cn(-c2ccc(C(N)=O)c(N3CCNCC3)c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is NSOZPPFBKUFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-13-26(18-11-22(2,3)12-19(27)20(14)18)15-4-5-16(21(23)28)17(10-15)25-8-6-24-7-9-25/h4-5,10,13,24H,6-9,11-12H2,1-3H3,(H2,23,28).
What are the key properties of 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 45271284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).