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

C17H22N2O2 — CID 95968551

IUPAC(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCC(C)C(=O)N1CCC([C@@H]2C(=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)/t15-/m0/s1
InChIKeyXGJJMJXERQKTBY-HNNXBMFYSA-N
MW286.38 g/mol
LogP2.62
Rot. Bonds2

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

(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 95968551) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID95968551
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCC(C)C(=O)N1CCC([C@@H]2C(=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)/t15-/m0/s1
InChIKeyXGJJMJXERQKTBY-HNNXBMFYSA-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

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154747405
3-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154773537
ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969908
4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid
CID 134076449
3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 120988636
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154806869
3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 136530546
1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione
CID 166183173
3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154833822
3-[1-[2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154833821

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 95968551) is (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one is CC(C)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is XGJJMJXERQKTBY-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
(3S)-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 (3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 95968551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).