2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid

C14H16N2O5 — CID 62032410

IUPAC2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2CC(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-21-10-4-2-9(3-5-10)14(20)16-7-6-15-13(19)11(16)8-12(17)18/h2-5,11H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPGZSARRALCJJCP-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.11
Rot. Bonds4

About 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 62032410) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID62032410
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2CC(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-21-10-4-2-9(3-5-10)14(20)16-7-6-15-13(19)11(16)8-12(17)18/h2-5,11H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPGZSARRALCJJCP-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

2-[(2R)-1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 6975965
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2813215
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
(3S)-4-(3,4-dimethoxybenzoyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 41281501
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194
2-[1-(3-bromo-4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790397
2-[1-(3-chloro-4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82872889

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid (CID 62032410) is 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid is COc1ccc(C(=O)N2CCNC(=O)C2CC(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is PGZSARRALCJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-10-4-2-9(3-5-10)14(20)16-7-6-15-13(19)11(16)8-12(17)18/h2-5,11H,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic 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 2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 62032410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).