1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one

C15H20N2O — CID 18448557

IUPAC1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(CN3CCCCC3)cc21
InChIInChI=1S/C15H20N2O/c1-16-14-9-12(5-6-13(14)10-15(16)18)11-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3
InChIKeyVIVIWUUWSZHFES-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.19
Rot. Bonds2

About 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one

1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one (PubChem CID 18448557) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one
PubChem CID18448557
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(CN3CCCCC3)cc21
InChIInChI=1S/C15H20N2O/c1-16-14-9-12(5-6-13(14)10-15(16)18)11-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3
InChIKeyVIVIWUUWSZHFES-UHFFFAOYSA-N
XLogP2.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one
CID 173194314
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 135197011
5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 59486388
1-[(4-methylphenyl)methyl]azepane
CID 3951815
6-isocyanato-1-methyl-3H-indol-2-one
CID 83915356
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
CID 142954380
5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
CID 96669267

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one (CID 18448557) is 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one is CN1C(=O)Cc2ccc(CN3CCCCC3)cc21.
What is the InChIKey of 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
The InChIKey is VIVIWUUWSZHFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-14-9-12(5-6-13(14)10-15(16)18)11-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(piperidin-1-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 18448557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).