(2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one

C22H23N3O3 — CID 92692765

IUPAC(2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one
SMILESCC(=O)c1ccc(N2CCN([C@H]3C(=O)c4ccccc4N3C(C)=O)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-7-9-18(10-8-17)23-11-13-24(14-12-23)22-21(28)19-5-3-4-6-20(19)25(22)16(2)27/h3-10,22H,11-14H2,1-2H3/t22-/m1/s1
InChIKeyPJCLZCRCDVPCBP-JOCHJYFZSA-N
MW377.44 g/mol
LogP2.59
Rot. Bonds3

About (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one

(2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one (PubChem CID 92692765) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one
PubChem CID92692765
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one
SMILESCC(=O)c1ccc(N2CCN([C@H]3C(=O)c4ccccc4N3C(C)=O)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-7-9-18(10-8-17)23-11-13-24(14-12-23)22-21(28)19-5-3-4-6-20(19)25(22)16(2)27/h3-10,22H,11-14H2,1-2H3/t22-/m1/s1
InChIKeyPJCLZCRCDVPCBP-JOCHJYFZSA-N
XLogP2.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one
CID 98208776
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 99935783
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
CID 91833277
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one?
The IUPAC name of (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one (CID 92692765) is (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one.
What is the SMILES notation for (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one?
The canonical SMILES for (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one is CC(=O)c1ccc(N2CCN([C@H]3C(=O)c4ccccc4N3C(C)=O)CC2)cc1.
What is the InChIKey of (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one?
The InChIKey is PJCLZCRCDVPCBP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(26)17-7-9-18(10-8-17)23-11-13-24(14-12-23)22-21(28)19-5-3-4-6-20(19)25(22)16(2)27/h3-10,22H,11-14H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one?
(2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one has a molecular weight of 377.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-[4-(4-acetylphenyl)piperazin-1-yl]-2H-indol-3-one is sourced from PubChem (CID 92692765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).