1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

C22H26N2O5 — CID 110368800

IUPAC1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C22H26N2O5/c1-27-18-6-4-5-17(13-18)22(26)24-11-9-23(10-12-24)15-19(25)16-7-8-20(28-2)21(14-16)29-3/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyOBNDDRMXZKUARE-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.35
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 110368800) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID110368800
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C22H26N2O5/c1-27-18-6-4-5-17(13-18)22(26)24-11-9-23(10-12-24)15-19(25)16-7-8-20(28-2)21(14-16)29-3/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyOBNDDRMXZKUARE-UHFFFAOYSA-N
XLogP2.35
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140
1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180457
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (CID 110368800) is 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is COc1cccc(C(=O)N2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is OBNDDRMXZKUARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-18-6-4-5-17(13-18)22(26)24-11-9-23(10-12-24)15-19(25)16-7-8-20(28-2)21(14-16)29-3/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 398.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110368800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).