1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid

C14H16N2O5 — CID 107432832

IUPAC1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCCOc1ccc(C(=O)N2CC(=O)NCC2C(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-2-21-10-5-3-9(4-6-10)13(18)16-8-12(17)15-7-11(16)14(19)20/h3-6,11H,2,7-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyMUXVPFCGMNLFQX-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.11
Rot. Bonds4

About 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid

1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432832) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432832
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCCOc1ccc(C(=O)N2CC(=O)NCC2C(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-2-21-10-5-3-9(4-6-10)13(18)16-8-12(17)15-7-11(16)14(19)20/h3-6,11H,2,7-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyMUXVPFCGMNLFQX-UHFFFAOYSA-N
XLogP0.11
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
1-[2-(4-fluorophenoxy)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107433138
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
8-chloro-4-(4-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 20994682
(5R)-7-bromo-4-(4-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159764
(5S)-7-chloro-4-(4-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159947
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433160
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid (CID 107432832) is 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid is CCOc1ccc(C(=O)N2CC(=O)NCC2C(=O)O)cc1.
What is the InChIKey of 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MUXVPFCGMNLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-2-21-10-5-3-9(4-6-10)13(18)16-8-12(17)15-7-11(16)14(19)20/h3-6,11H,2,7-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid?
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).