ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate

C21H24N2O4 — CID 113080742

IUPACethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C21H24N2O4/c1-3-27-21(25)18-9-4-5-10-19(18)22-11-13-23(14-12-22)20(24)16-7-6-8-17(15-16)26-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyRGSQGBGVFFFFEI-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate

ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate (PubChem CID 113080742) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
PubChem CID113080742
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C21H24N2O4/c1-3-27-21(25)18-9-4-5-10-19(18)22-11-13-23(14-12-22)20(24)16-7-6-8-17(15-16)26-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyRGSQGBGVFFFFEI-UHFFFAOYSA-N
XLogP2.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080739
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 36724822
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
CID 113080764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate (CID 113080742) is ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate?
The InChIKey is RGSQGBGVFFFFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-27-21(25)18-9-4-5-10-19(18)22-11-13-23(14-12-22)20(24)16-7-6-8-17(15-16)26-2/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate?
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113080742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).