[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C24H25N3O4 — CID 108533978

IUPAC[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H25N3O4/c1-30-20-6-5-7-21(31-2)22(20)24(29)27-16-14-26(15-17-27)23(28)18-8-10-19(11-9-18)25-12-3-4-13-25/h3-13H,14-17H2,1-2H3
InChIKeyFECAZIJYBVHKPH-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.09
Rot. Bonds5

About [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 108533978) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID108533978
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H25N3O4/c1-30-20-6-5-7-21(31-2)22(20)24(29)27-16-14-26(15-17-27)23(28)18-8-10-19(11-9-18)25-12-3-4-13-25/h3-13H,14-17H2,1-2H3
InChIKeyFECAZIJYBVHKPH-UHFFFAOYSA-N
XLogP3.09
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108543796
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108546179
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
methyl 4-oxo-4-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]butanoate
CID 110801290
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 108533978) is [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is FECAZIJYBVHKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-20-6-5-7-21(31-2)22(20)24(29)27-16-14-26(15-17-27)23(28)18-8-10-19(11-9-18)25-12-3-4-13-25/h3-13H,14-17H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 419.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 108533978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).