3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one

C16H20N2O2 — CID 110694649

IUPAC3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCC1CCCN(C(=O)CC2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C16H20N2O2/c1-11-5-4-8-18(10-11)15(19)9-13-12-6-2-3-7-14(12)17-16(13)20/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,17,20)
InChIKeyOYHAZYMFXBAKMW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds2

About 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one

3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 110694649) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID110694649
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCC1CCCN(C(=O)CC2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C16H20N2O2/c1-11-5-4-8-18(10-11)15(19)9-13-12-6-2-3-7-14(12)17-16(13)20/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,17,20)
InChIKeyOYHAZYMFXBAKMW-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694583
(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 95275178
4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110694594
1-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperidine-4-carboxamide
CID 110694627
(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 97191684
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694625
3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167811788
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 86867538
(2R)-6-chloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 25388740
6-chloro-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 17393034
(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 129369125
(2R)-2-[2-[(4R)-4-methylazepan-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 95141265

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one (CID 110694649) is 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one is CC1CCCN(C(=O)CC2C(=O)Nc3ccccc32)C1.
What is the InChIKey of 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is OYHAZYMFXBAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-4-8-18(10-11)15(19)9-13-12-6-2-3-7-14(12)17-16(13)20/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,17,20).
What are the key properties of 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110694649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).