3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one

C22H25N3O2 — CID 58834365

IUPAC3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one
SMILESCC1(C)C(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-22(2)18-10-6-7-11-19(18)25(21(22)27)16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyCOEUREMQILOCGN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.66
Rot. Bonds3

About 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one

3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one (PubChem CID 58834365) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one
PubChem CID58834365
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one
SMILESCC1(C)C(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-22(2)18-10-6-7-11-19(18)25(21(22)27)16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyCOEUREMQILOCGN-UHFFFAOYSA-N
XLogP2.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)indol-2-one
CID 51691258
1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3,3,5-trimethylindol-2-one
CID 53057472
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 112778988
(2S)-2-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 25346949
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7494626
4-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepine-2,5-dione
CID 46365504
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122190142
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 9032718
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72924241

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one?
The IUPAC name of 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one (CID 58834365) is 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one is CC1(C)C(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one?
The InChIKey is COEUREMQILOCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2)18-10-6-7-11-19(18)25(21(22)27)16-20(26)24-14-12-23(13-15-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one?
3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one is sourced from PubChem (CID 58834365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).