5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one

C15H21N3O — CID 116935674

IUPAC5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)C3CCCCN3)ccc21
InChIInChI=1S/C15H21N3O/c1-18-13-6-5-10(8-11(13)9-14(18)19)15(16)12-4-2-3-7-17-12/h5-6,8,12,15,17H,2-4,7,9,16H2,1H3
InChIKeyNAKBSVJLKFOXRA-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.35
Rot. Bonds2

About 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one

5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 116935674) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID116935674
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)C3CCCCN3)ccc21
InChIInChI=1S/C15H21N3O/c1-18-13-6-5-10(8-11(13)9-14(18)19)15(16)12-4-2-3-7-17-12/h5-6,8,12,15,17H,2-4,7,9,16H2,1H3
InChIKeyNAKBSVJLKFOXRA-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119586
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
CID 61098748
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640

Frequently Asked Questions

What is the IUPAC name of 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 116935674) is 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)C3CCCCN3)ccc21.
What is the InChIKey of 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is NAKBSVJLKFOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-13-6-5-10(8-11(13)9-14(18)19)15(16)12-4-2-3-7-17-12/h5-6,8,12,15,17H,2-4,7,9,16H2,1H3.
What are the key properties of 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one?
5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116935674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).