methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate

C20H22N2O4 — CID 134801650

IUPACmethyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)CC1
InChIInChI=1S/C20H22N2O4/c1-25-18-8-4-6-16(14-18)15-5-3-7-17(13-15)19(23)21-9-11-22(12-10-21)20(24)26-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyIXWMBZAMBUAFSG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.89
Rot. Bonds3

About methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate

methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate (PubChem CID 134801650) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
PubChem CID134801650
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)CC1
InChIInChI=1S/C20H22N2O4/c1-25-18-8-4-6-16(14-18)15-5-3-7-17(13-15)19(23)21-9-11-22(12-10-21)20(24)26-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyIXWMBZAMBUAFSG-UHFFFAOYSA-N
XLogP2.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
CID 134803037
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate (CID 134801650) is methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)CC1.
What is the InChIKey of methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is IXWMBZAMBUAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-18-8-4-6-16(14-18)15-5-3-7-17(13-15)19(23)21-9-11-22(12-10-21)20(24)26-2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate?
methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 134801650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).