1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one

C14H19N3O — CID 116825281

IUPAC1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC3CNCCN3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-13-3-2-10(6-11(13)8-14(17)18)7-12-9-15-4-5-16-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3
InChIKeyNPCJFXJOXJYQNN-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.31
Rot. Bonds2

About 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one

1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one (PubChem CID 116825281) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one
PubChem CID116825281
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CC3CNCCN3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-13-3-2-10(6-11(13)8-14(17)18)7-12-9-15-4-5-16-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3
InChIKeyNPCJFXJOXJYQNN-UHFFFAOYSA-N
XLogP0.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-5-pyrrolidin-3-yloxy-3H-indol-2-one
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5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
CID 96669267
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
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1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
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5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one
CID 82622541
2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
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5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one (CID 116825281) is 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one is CN1C(=O)Cc2cc(CC3CNCCN3)ccc21.
What is the InChIKey of 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one?
The InChIKey is NPCJFXJOXJYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13-3-2-10(6-11(13)8-14(17)18)7-12-9-15-4-5-16-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3.
What are the key properties of 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one?
1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 116825281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).