1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid

C25H28N4O6 — CID 59486956

IUPAC1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-n2nc(C3(C(=O)O)CCN(C(=O)N(C)O)CC3)cc2-c2ccccc2OC)cc1
InChIInChI=1S/C25H28N4O6/c1-27(33)24(32)28-14-12-25(13-15-28,23(30)31)22-16-20(19-6-4-5-7-21(19)35-3)29(26-22)17-8-10-18(34-2)11-9-17/h4-11,16,33H,12-15H2,1-3H3,(H,30,31)
InChIKeyBZRWJFIYVAOZPT-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.42
Rot. Bonds6

About 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid

1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid (PubChem CID 59486956) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid
PubChem CID59486956
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-n2nc(C3(C(=O)O)CCN(C(=O)N(C)O)CC3)cc2-c2ccccc2OC)cc1
InChIInChI=1S/C25H28N4O6/c1-27(33)24(32)28-14-12-25(13-15-28,23(30)31)22-16-20(19-6-4-5-7-21(19)35-3)29(26-22)17-8-10-18(34-2)11-9-17/h4-11,16,33H,12-15H2,1-3H3,(H,30,31)
InChIKeyBZRWJFIYVAOZPT-UHFFFAOYSA-N
XLogP3.42
TPSA117.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid (CID 59486956) is 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid is COc1ccc(-n2nc(C3(C(=O)O)CCN(C(=O)N(C)O)CC3)cc2-c2ccccc2OC)cc1.
What is the InChIKey of 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid?
The InChIKey is BZRWJFIYVAOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-27(33)24(32)28-14-12-25(13-15-28,23(30)31)22-16-20(19-6-4-5-7-21(19)35-3)29(26-22)17-8-10-18(34-2)11-9-17/h4-11,16,33H,12-15H2,1-3H3,(H,30,31).
What are the key properties of 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid?
1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid has a molecular weight of 480.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(methyl)carbamoyl]-4-[5-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59486956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).