3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one

C14H19N3O — CID 43586553

IUPAC3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1CCCN(c2ccc3c(c2)NC(=O)C3N)C1
InChIInChI=1S/C14H19N3O/c1-9-3-2-6-17(8-9)10-4-5-11-12(7-10)16-14(18)13(11)15/h4-5,7,9,13H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyHLFQGLHDOWCTSC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds1

About 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one

3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 43586553) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID43586553
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1CCCN(c2ccc3c(c2)NC(=O)C3N)C1
InChIInChI=1S/C14H19N3O/c1-9-3-2-6-17(8-9)10-4-5-11-12(7-10)16-14(18)13(11)15/h4-5,7,9,13H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyHLFQGLHDOWCTSC-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-(3,4-dimethylpiperazin-1-yl)-1,3-dihydroindol-2-one
CID 63609206
3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43586561
3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 102744234
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 43586661
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
2-chloro-4-(3-methylpiperidin-1-yl)benzoic acid
CID 62945909
3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one
CID 63369171
4-(3-methylazepan-1-yl)aniline
CID 23103826

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 43586553) is 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one is CC1CCCN(c2ccc3c(c2)NC(=O)C3N)C1.
What is the InChIKey of 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is HLFQGLHDOWCTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-3-2-6-17(8-9)10-4-5-11-12(7-10)16-14(18)13(11)15/h4-5,7,9,13H,2-3,6,8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).