[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

C22H27N3O4 — CID 110365155

IUPAC[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C22H27N3O4/c1-23(2)17-8-5-7-16(15-17)21(26)24-11-13-25(14-12-24)22(27)20-18(28-3)9-6-10-19(20)29-4/h5-10,15H,11-14H2,1-4H3
InChIKeyMDMNPXIODRYHFG-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.37
Rot. Bonds5

About [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 110365155) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID110365155
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C22H27N3O4/c1-23(2)17-8-5-7-16(15-17)21(26)24-11-13-25(14-12-24)22(27)20-18(28-3)9-6-10-19(20)29-4/h5-10,15H,11-14H2,1-4H3
InChIKeyMDMNPXIODRYHFG-UHFFFAOYSA-N
XLogP2.37
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
(3-bromophenyl)-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544504
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
(3,4-dichlorophenyl)-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543906
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110741465
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3,4,5-trihydroxyphenyl)methanone
CID 108544510
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 110365155) is [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone is COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is MDMNPXIODRYHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23(2)17-8-5-7-16(15-17)21(26)24-11-13-25(14-12-24)22(27)20-18(28-3)9-6-10-19(20)29-4/h5-10,15H,11-14H2,1-4H3.
What are the key properties of [4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 397.48 g/mol, XLogP of 2.37, 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]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 110365155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).