3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C17H22N2O2 — CID 110710753

IUPAC3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCC(C)C(=O)N1CCC(C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C17H22N2O2/c1-11(2)17(21)19-9-7-12(8-10-19)15-13-5-3-4-6-14(13)18-16(15)20/h3-6,11-12,15H,7-10H2,1-2H3,(H,18,20)
InChIKeyXGJJMJXERQKTBY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.62
Rot. Bonds2

About 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 110710753) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID110710753
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCC(C)C(=O)N1CCC(C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C17H22N2O2/c1-11(2)17(21)19-9-7-12(8-10-19)15-13-5-3-4-6-14(13)18-16(15)20/h3-6,11-12,15H,7-10H2,1-2H3,(H,18,20)
InChIKeyXGJJMJXERQKTBY-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
ML252
CID 26873419
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 110710753) is 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one is CC(C)C(=O)N1CCC(C2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is XGJJMJXERQKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)17(21)19-9-7-12(8-10-19)15-13-5-3-4-6-14(13)18-16(15)20/h3-6,11-12,15H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110710753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).