4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one

C22H23N3O2 — CID 70774679

IUPAC4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1=O
InChIInChI=1S/C22H23N3O2/c1-16-7-3-5-9-19(16)25-12-11-24(15-22(25)27)21(26)13-17-14-23(2)20-10-6-4-8-18(17)20/h3-10,14H,11-13,15H2,1-2H3
InChIKeyVARBOJDYBMIZLI-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.90
Rot. Bonds3

About 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one

4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one (PubChem CID 70774679) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
PubChem CID70774679
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1=O
InChIInChI=1S/C22H23N3O2/c1-16-7-3-5-9-19(16)25-12-11-24(15-22(25)27)21(26)13-17-14-23(2)20-10-6-4-8-18(17)20/h3-10,14H,11-13,15H2,1-2H3
InChIKeyVARBOJDYBMIZLI-UHFFFAOYSA-N
XLogP2.90
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70724139
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
CID 99979313
1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819445
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899702
4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one
CID 157423766

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one (CID 70774679) is 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1=O.
What is the InChIKey of 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is VARBOJDYBMIZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-3-5-9-19(16)25-12-11-24(15-22(25)27)21(26)13-17-14-23(2)20-10-6-4-8-18(17)20/h3-10,14H,11-13,15H2,1-2H3.
What are the key properties of 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 361.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70774679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).