3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one

C21H23N3O2 — CID 110694625

IUPAC3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(14-18-17-8-4-5-9-19(17)22-21(18)26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,26)
InChIKeyZKCUEBDUYXZQFR-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.46
Rot. Bonds4

About 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 110694625) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID110694625
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(14-18-17-8-4-5-9-19(17)22-21(18)26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,26)
InChIKeyZKCUEBDUYXZQFR-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110694594
3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167811788
(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 97191684
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 129369125
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 86867538
3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 118986171
(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 95275178
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one (CID 110694625) is 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1CC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is ZKCUEBDUYXZQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(14-18-17-8-4-5-9-19(17)22-21(18)26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,26).
What are the key properties of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 349.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110694625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).