2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone

C21H27N3O2 — CID 110804247

IUPAC2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)n(C)c3C)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-5-7-18(8-6-15)14-20(25)23-9-11-24(12-10-23)21(26)19-13-16(2)22(4)17(19)3/h5-8,13H,9-12,14H2,1-4H3
InChIKeyFDISYJJCMNRHIQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110804247) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110804247
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)n(C)c3C)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-5-7-18(8-6-15)14-20(25)23-9-11-24(12-10-23)21(26)19-13-16(2)22(4)17(19)3/h5-8,13H,9-12,14H2,1-4H3
InChIKeyFDISYJJCMNRHIQ-UHFFFAOYSA-N
XLogP2.48
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110815046
2-(1H-pyrrol-2-yl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815803
3-phenyl-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110802744
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 48869030
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
2-(4-methylphenyl)-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110365762
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365749
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110714939
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110808027

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone (CID 110804247) is 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)n(C)c3C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is FDISYJJCMNRHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-5-7-18(8-6-15)14-20(25)23-9-11-24(12-10-23)21(26)19-13-16(2)22(4)17(19)3/h5-8,13H,9-12,14H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110804247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).