2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one

C13H18N4O2 — CID 166635651

IUPAC2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(CC(=O)N3CCNCC3)cc21
InChIInChI=1S/C13H18N4O2/c18-12-3-1-2-11-10(12)8-17(15-11)9-13(19)16-6-4-14-5-7-16/h8,14H,1-7,9H2
InChIKeyMOXRPGBETQIPCA-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.17
Rot. Bonds2

About 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one

2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 166635651) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID166635651
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(CC(=O)N3CCNCC3)cc21
InChIInChI=1S/C13H18N4O2/c18-12-3-1-2-11-10(12)8-17(15-11)9-13(19)16-6-4-14-5-7-16/h8,14H,1-7,9H2
InChIKeyMOXRPGBETQIPCA-UHFFFAOYSA-N
XLogP-0.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one (CID 166635651) is 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(CC(=O)N3CCNCC3)cc21.
What is the InChIKey of 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is MOXRPGBETQIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12-3-1-2-11-10(12)8-17(15-11)9-13(19)16-6-4-14-5-7-16/h8,14H,1-7,9H2.
What are the key properties of 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one?
2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 262.31 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 166635651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).