1-(4-methylpiperazin-1-yl)-3H-indol-2-one

C13H17N3O — CID 23353982

IUPAC1-(4-methylpiperazin-1-yl)-3H-indol-2-one
SMILESCN1CCN(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C13H17N3O/c1-14-6-8-15(9-7-14)16-12-5-3-2-4-11(12)10-13(16)17/h2-5H,6-10H2,1H3
InChIKeyIXHDVOCVAMZUSN-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.74
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)-3H-indol-2-one

1-(4-methylpiperazin-1-yl)-3H-indol-2-one (PubChem CID 23353982) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3H-indol-2-one
PubChem CID23353982
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-methylpiperazin-1-yl)-3H-indol-2-one
SMILESCN1CCN(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C13H17N3O/c1-14-6-8-15(9-7-14)16-12-5-3-2-4-11(12)10-13(16)17/h2-5H,6-10H2,1H3
InChIKeyIXHDVOCVAMZUSN-UHFFFAOYSA-N
XLogP0.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-3,4-dihydroquinolin-2-one
CID 19094699
CID 165088007
CID 165088007
1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene
CID 174853877
10-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
CID 19847379
1-[4-(4-methylbenzenecarbothioyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one
CID 22072548
7-(4-methylpiperazin-1-yl)-3H-1-benzofuran-2-one
CID 58146996
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
7-(4-methylpiperazin-1-yl)-3H-1-benzofuran-2-one;hydrochloride
CID 123211204
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3H-indol-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3H-indol-2-one (CID 23353982) is 1-(4-methylpiperazin-1-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3H-indol-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3H-indol-2-one is CN1CCN(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3H-indol-2-one?
The InChIKey is IXHDVOCVAMZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-6-8-15(9-7-14)16-12-5-3-2-4-11(12)10-13(16)17/h2-5H,6-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3H-indol-2-one?
1-(4-methylpiperazin-1-yl)-3H-indol-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3H-indol-2-one is sourced from PubChem (CID 23353982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).