2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine

C24H34N4O5 — CID 143006284

IUPAC2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine
SMILESCNO.COc1ccc(CCCC(C(=O)N2CCN(c3ccccn3)CC2)C(O)C=O)cc1
InChIInChI=1S/C23H29N3O4.CH5NO/c1-30-19-10-8-18(9-11-19)5-4-6-20(21(28)17-27)23(29)26-15-13-25(14-16-26)22-7-2-3-12-24-22;1-2-3/h2-3,7-12,17,20-21,28H,4-6,13-16H2,1H3;2-3H,1H3
InChIKeyWKLYCSZLUNMZPQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.53
Rot. Bonds9

About 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine

2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine (PubChem CID 143006284) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine.

Molecular Properties

Compound Name2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine
PubChem CID143006284
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine
SMILESCNO.COc1ccc(CCCC(C(=O)N2CCN(c3ccccn3)CC2)C(O)C=O)cc1
InChIInChI=1S/C23H29N3O4.CH5NO/c1-30-19-10-8-18(9-11-19)5-4-6-20(21(28)17-27)23(29)26-15-13-25(14-16-26)22-7-2-3-12-24-22;1-2-3/h2-3,7-12,17,20-21,28H,4-6,13-16H2,1H3;2-3H,1H3
InChIKeyWKLYCSZLUNMZPQ-UHFFFAOYSA-N
XLogP1.53
TPSA115.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-6-(4-ethoxyphenyl)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]hexanal
CID 89012665
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220969
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
(2S,3R)-3-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazine-1-carbonyl]-6-(4-ethoxyphenyl)-N,2-dihydroxyhexanamide
CID 11685000
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 48846750
2-butyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 10266982
3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
CID 53161575
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111170644
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111182746

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine?
The IUPAC name of 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine (CID 143006284) is 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine.
What is the SMILES notation for 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine?
The canonical SMILES for 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine is CNO.COc1ccc(CCCC(C(=O)N2CCN(c3ccccn3)CC2)C(O)C=O)cc1.
What is the InChIKey of 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine?
The InChIKey is WKLYCSZLUNMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.CH5NO/c1-30-19-10-8-18(9-11-19)5-4-6-20(21(28)17-27)23(29)26-15-13-25(14-16-26)22-7-2-3-12-24-22;1-2-3/h2-3,7-12,17,20-21,28H,4-6,13-16H2,1H3;2-3H,1H3.
What are the key properties of 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine?
2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine has a molecular weight of 458.56 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanal;N-methylhydroxylamine is sourced from PubChem (CID 143006284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).