ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate

C23H29N3O6 — CID 118536391

IUPACethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate
SMILESCCOC(=O)ON1CC2(CC2)CC(C(=O)NO)C1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O6/c1-2-31-22(29)32-26-15-23(10-11-23)14-18(20(27)24-30)19(26)21(28)25-12-8-17(9-13-25)16-6-4-3-5-7-16/h3-8,18-19,30H,2,9-15H2,1H3,(H,24,27)
InChIKeyROXWASCPZUCVJC-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.37
Rot. Bonds5

About ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate

ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate (PubChem CID 118536391) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate.

Molecular Properties

Compound Nameethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate
PubChem CID118536391
Molecular FormulaC23H29N3O6
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Nameethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate
SMILESCCOC(=O)ON1CC2(CC2)CC(C(=O)NO)C1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O6/c1-2-31-22(29)32-26-15-23(10-11-23)14-18(20(27)24-30)19(26)21(28)25-12-8-17(9-13-25)16-6-4-3-5-7-16/h3-8,18-19,30H,2,9-15H2,1H3,(H,24,27)
InChIKeyROXWASCPZUCVJC-UHFFFAOYSA-N
XLogP2.37
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.37
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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Related Compounds

propan-2-yl 7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 87234284
(6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-propan-2-yl-5-azaspiro[2.5]octane-5-carboxylic acid
CID 87234755
ethyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-tetrahydropyridine-2-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 87768169
cyclohexyl (6S,7S)-7-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 87234517
(6S,7S)-N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87653039
N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 11258012
[(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl] azepane-1-carboxylate
CID 87349142
N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234787
trans-(1S,2S)-5-(3,4-difluorophenoxy)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530048
N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234430
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexyl] morpholine-4-carboxylate
CID 87348584
6-[4-(4-cyano-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234341

Frequently Asked Questions

What is the IUPAC name of ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate?
The IUPAC name of ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate (CID 118536391) is ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate.
What is the SMILES notation for ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate?
The canonical SMILES for ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate is CCOC(=O)ON1CC2(CC2)CC(C(=O)NO)C1C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate?
The InChIKey is ROXWASCPZUCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6/c1-2-31-22(29)32-26-15-23(10-11-23)14-18(20(27)24-30)19(26)21(28)25-12-8-17(9-13-25)16-6-4-3-5-7-16/h3-8,18-19,30H,2,9-15H2,1H3,(H,24,27).
What are the key properties of ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate?
ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate has a molecular weight of 443.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octan-5-yl] carbonate is sourced from PubChem (CID 118536391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).