2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

C24H31N3O2 — CID 3244507

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C24H31N3O2/c1-18-22(19(2)28)16-23(20-8-4-3-5-9-20)27(18)17-24(29)26-14-12-25(13-15-26)21-10-6-7-11-21/h3-5,8-9,16,21H,6-7,10-15,17H2,1-2H3
InChIKeyLUMFCZZBJFTSDE-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.75
Rot. Bonds5

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 3244507) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID3244507
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C24H31N3O2/c1-18-22(19(2)28)16-23(20-8-4-3-5-9-20)27(18)17-24(29)26-14-12-25(13-15-26)21-10-6-7-11-21/h3-5,8-9,16,21H,6-7,10-15,17H2,1-2H3
InChIKeyLUMFCZZBJFTSDE-UHFFFAOYSA-N
XLogP3.75
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (CID 3244507) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(C3CCCC3)CC2)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is LUMFCZZBJFTSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-22(19(2)28)16-23(20-8-4-3-5-9-20)27(18)17-24(29)26-14-12-25(13-15-26)21-10-6-7-11-21/h3-5,8-9,16,21H,6-7,10-15,17H2,1-2H3.
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 393.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3244507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).