1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid

C13H16N2O4 — CID 80740531

IUPAC1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C13H16N2O4/c16-11-4-2-1-3-9(11)7-12(17)15-6-5-14-8-10(15)13(18)19/h1-4,10,14,16H,5-8H2,(H,18,19)
InChIKeyVEQSIIQQWZWHCQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.18
Rot. Bonds3

About 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid

1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid (PubChem CID 80740531) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid
PubChem CID80740531
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C13H16N2O4/c16-11-4-2-1-3-9(11)7-12(17)15-6-5-14-8-10(15)13(18)19/h1-4,10,14,16H,5-8H2,(H,18,19)
InChIKeyVEQSIIQQWZWHCQ-UHFFFAOYSA-N
XLogP-0.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-nitrophenyl)acetyl]piperazine-2-carboxylic acid
CID 104541085
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 56887539
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 95717871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid (CID 80740531) is 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid is O=C(O)C1CNCCN1C(=O)Cc1ccccc1O.
What is the InChIKey of 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid?
The InChIKey is VEQSIIQQWZWHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-4-2-1-3-9(11)7-12(17)15-6-5-14-8-10(15)13(18)19/h1-4,10,14,16H,5-8H2,(H,18,19).
What are the key properties of 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid?
1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyphenyl)acetyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 80740531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).