2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C21H25N3O — CID 51284947

IUPAC2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)c1
InChIInChI=1S/C21H25N3O/c1-17-5-4-7-19(15-17)22-11-13-23(14-12-22)21(25)16-24-10-9-18-6-2-3-8-20(18)24/h2-8,15H,9-14,16H2,1H3
InChIKeyRDSZPIXIFBZNLM-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.71
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 51284947) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID51284947
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)c1
InChIInChI=1S/C21H25N3O/c1-17-5-4-7-19(15-17)22-11-13-23(14-12-22)21(25)16-24-10-9-18-6-2-3-8-20(18)24/h2-8,15H,9-14,16H2,1H3
InChIKeyRDSZPIXIFBZNLM-UHFFFAOYSA-N
XLogP2.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029285
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109174375
4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
CID 129470949
[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286387

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 51284947) is 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)c1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is RDSZPIXIFBZNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17-5-4-7-19(15-17)22-11-13-23(14-12-22)21(25)16-24-10-9-18-6-2-3-8-20(18)24/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51284947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).