[(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate

C24H32N4O6 — CID 87234317

IUPAC[(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
SMILESO=C(NO)C1CC2(CC2)CN(C(=O)O[C@@H]2CCOC2)C1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N4O6/c29-21(25-32)19-14-24(7-8-24)16-28(23(31)34-18-6-13-33-15-18)20(19)22(30)27-11-9-26(10-12-27)17-4-2-1-3-5-17/h1-5,18-20,32H,6-16H2,(H,25,29)/t18-,19?,20?/m1/s1
InChIKeyKZMZXWVOUIOSBN-XEVCZEQESA-N
MW472.54 g/mol
LogP1.24
Rot. Bonds4

About [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate

[(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate (PubChem CID 87234317) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
PubChem CID87234317
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name[(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
SMILESO=C(NO)C1CC2(CC2)CN(C(=O)O[C@@H]2CCOC2)C1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N4O6/c29-21(25-32)19-14-24(7-8-24)16-28(23(31)34-18-6-13-33-15-18)20(19)22(30)27-11-9-26(10-12-27)17-4-2-1-3-5-17/h1-5,18-20,32H,6-16H2,(H,25,29)/t18-,19?,20?/m1/s1
InChIKeyKZMZXWVOUIOSBN-XEVCZEQESA-N
XLogP1.24
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.24
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'}

Analyze [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate with MolForge

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Related Compounds

oxan-4-yl (6S,7S)-6-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]-7-(hydroxycarbamoyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 87234667
(6S,7S)-5-methoxycarbonyl-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
CID 123855703
(3R,6S,7S)-7-(hydroxycarbamoyl)-2-(oxolan-3-yl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid
CID 87234325
N-hydroxy-5-methylsulfonyl-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234267
(6S,7S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl)spiro[2.5]octane-7-carboxamide
CID 44583623
(6S,7S)-7-(hydroxycarbamoyl)-2-methyl-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylic acid
CID 87078370
cyclohexyl (6S,7S)-7-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 87234517
(2S,3S)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)-5-(pyrrolidine-1-carbonyloxy)piperidine-1-carboxylic acid
CID 87530277
(2S,3S,5S)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)-5-(piperidine-1-carbonyloxy)piperidine-1-carboxylic acid
CID 87530082
methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 11625778
7-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-5-carboxylic acid
CID 118536371
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?
The IUPAC name of [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate (CID 87234317) is [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate.
What is the SMILES notation for [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?
The canonical SMILES for [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate is O=C(NO)C1CC2(CC2)CN(C(=O)O[C@@H]2CCOC2)C1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?
The InChIKey is KZMZXWVOUIOSBN-XEVCZEQESA-N. The full InChI is InChI=1S/C24H32N4O6/c29-21(25-32)19-14-24(7-8-24)16-28(23(31)34-18-6-13-33-15-18)20(19)22(30)27-11-9-26(10-12-27)17-4-2-1-3-5-17/h1-5,18-20,32H,6-16H2,(H,25,29)/t18-,19?,20?/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate?
[(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate is sourced from PubChem (CID 87234317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).