6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C21H23N3O3 — CID 167806620

IUPAC6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CCN2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-6-4-15(5-7-17)19-13-24(9-8-22-19)21(26)11-14-2-3-16-12-20(25)23-18(16)10-14/h2-7,10,19,22H,8-9,11-13H2,1H3,(H,23,25)
InChIKeyLEOJIFKLGMKFIG-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.91
Rot. Bonds4

About 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 167806620) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID167806620
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CCN2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-6-4-15(5-7-17)19-13-24(9-8-22-19)21(26)11-14-2-3-16-12-20(25)23-18(16)10-14/h2-7,10,19,22H,8-9,11-13H2,1H3,(H,23,25)
InChIKeyLEOJIFKLGMKFIG-UHFFFAOYSA-N
XLogP1.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
6-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128983181
6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128984479
6-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 126792693
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 167978497
3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 167768221
5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124620564
1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
CID 129211895
2-(3-bromo-4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 84607778

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 167806620) is 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is COc1ccc(C2CN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CCN2)cc1.
What is the InChIKey of 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is LEOJIFKLGMKFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-17-6-4-15(5-7-17)19-13-24(9-8-22-19)21(26)11-14-2-3-16-12-20(25)23-18(16)10-14/h2-7,10,19,22H,8-9,11-13H2,1H3,(H,23,25).
What are the key properties of 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 365.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 167806620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).