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

C24H25N3O4 — CID 33003765

IUPAC[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-10-7-19(17-22(21)31-2)24(29)27-15-13-26(14-16-27)23(28)18-5-8-20(9-6-18)25-11-3-4-12-25/h3-12,17H,13-16H2,1-2H3
InChIKeyFVFXOCKVPCKKKL-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.09
Rot. Bonds5

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

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 33003765) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID33003765
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-10-7-19(17-22(21)31-2)24(29)27-15-13-26(14-16-27)23(28)18-5-8-20(9-6-18)25-11-3-4-12-25/h3-12,17H,13-16H2,1-2H3
InChIKeyFVFXOCKVPCKKKL-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)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108543796
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108533978
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108546179
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 33003765) is [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is FVFXOCKVPCKKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-21-10-7-19(17-22(21)31-2)24(29)27-15-13-26(14-16-27)23(28)18-5-8-20(9-6-18)25-11-3-4-12-25/h3-12,17H,13-16H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(3,4-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-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 33003765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).