[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C24H25N3O2 — CID 110347050

IUPAC[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1C
InChIInChI=1S/C24H25N3O2/c1-18-5-6-21(17-19(18)2)24(29)27-15-13-26(14-16-27)23(28)20-7-9-22(10-8-20)25-11-3-4-12-25/h3-12,17H,13-16H2,1-2H3
InChIKeyXELLQIBGICODON-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.69
Rot. Bonds3

About [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 110347050) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID110347050
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1C
InChIInChI=1S/C24H25N3O2/c1-18-5-6-21(17-19(18)2)24(29)27-15-13-26(14-16-27)23(28)20-7-9-22(10-8-20)25-11-3-4-12-25/h3-12,17H,13-16H2,1-2H3
InChIKeyXELLQIBGICODON-UHFFFAOYSA-N
XLogP3.69
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
2-(3,4-dimethylphenoxy)-1-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 108535822
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108543796
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108533978
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108569421
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
N-[3-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108547121
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 110347050) is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is XELLQIBGICODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-5-6-21(17-19(18)2)24(29)27-15-13-26(14-16-27)23(28)20-7-9-22(10-8-20)25-11-3-4-12-25/h3-12,17H,13-16H2,1-2H3.
What are the key properties of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 387.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110347050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).