methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate

C14H18N2O4 — CID 78454906

IUPACmethyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O4/c1-19-11-5-3-10(4-6-11)13(17)16-8-7-15-9-12(16)14(18)20-2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyDHDWLPMPUSYGOA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.28
Rot. Bonds3

About methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate

methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate (PubChem CID 78454906) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
PubChem CID78454906
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O4/c1-19-11-5-3-10(4-6-11)13(17)16-8-7-15-9-12(16)14(18)20-2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyDHDWLPMPUSYGOA-UHFFFAOYSA-N
XLogP0.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 19011715
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124948371
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
3-(4-methoxyphenyl)-1-(2-methylpiperazin-1-yl)but-2-en-1-one
CID 126766989
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
methyl 4-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate?
The IUPAC name of methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate (CID 78454906) is methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate is COC(=O)C1CNCCN1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate?
The InChIKey is DHDWLPMPUSYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-11-5-3-10(4-6-11)13(17)16-8-7-15-9-12(16)14(18)20-2/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate?
methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate is sourced from PubChem (CID 78454906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).