[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C21H24N2O5 — CID 1148027

IUPAC[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H24N2O5/c1-26-16-12-15(13-17(14-16)27-2)20(24)22-8-10-23(11-9-22)21(25)18-6-4-5-7-19(18)28-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyPSAIYBQGWPCVCW-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.31
Rot. Bonds5

About [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 1148027) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID1148027
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H24N2O5/c1-26-16-12-15(13-17(14-16)27-2)20(24)22-8-10-23(11-9-22)21(25)18-6-4-5-7-19(18)28-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyPSAIYBQGWPCVCW-UHFFFAOYSA-N
XLogP2.31
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 1148027) is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccccc3OC)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PSAIYBQGWPCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-16-12-15(13-17(14-16)27-2)20(24)22-8-10-23(11-9-22)21(25)18-6-4-5-7-19(18)28-3/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 384.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 1148027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).