5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one

C12H13N3O2 — CID 82289120

IUPAC5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3NCCNC3=O)ccc2N1
InChIInChI=1S/C12H13N3O2/c16-10-6-8-5-7(1-2-9(8)15-10)11-12(17)14-4-3-13-11/h1-2,5,11,13H,3-4,6H2,(H,14,17)(H,15,16)
InChIKeyKKJYTZVTLQBXJM-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.06
Rot. Bonds1

About 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one

5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one (PubChem CID 82289120) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
PubChem CID82289120
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3NCCNC3=O)ccc2N1
InChIInChI=1S/C12H13N3O2/c16-10-6-8-5-7(1-2-9(8)15-10)11-12(17)14-4-3-13-11/h1-2,5,11,13H,3-4,6H2,(H,14,17)(H,15,16)
InChIKeyKKJYTZVTLQBXJM-UHFFFAOYSA-N
XLogP-0.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
5-thiomorpholin-3-yl-1,3-dihydroindol-2-one
CID 82290766
5-(2-methylmorpholin-3-yl)-1,3-dihydroindol-2-one
CID 82289606
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one
CID 116980989
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one
CID 123909076
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one (CID 82289120) is 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C3NCCNC3=O)ccc2N1.
What is the InChIKey of 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is KKJYTZVTLQBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-6-8-5-7(1-2-9(8)15-10)11-12(17)14-4-3-13-11/h1-2,5,11,13H,3-4,6H2,(H,14,17)(H,15,16).
What are the key properties of 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one?
5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 231.25 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82289120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).