[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate

C23H31N3O6 — CID 11178302

IUPAC[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(NO)[C@H]1CN(C(=O)O[C@@H]2CCOC2)CC[C@@H]1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H31N3O6/c27-21(24-30)20-14-26(23(29)32-18-9-13-31-15-18)12-8-19(20)22(28)25-10-6-17(7-11-25)16-4-2-1-3-5-16/h1-5,17-20,30H,6-15H2,(H,24,27)/t18-,19+,20+/m1/s1
InChIKeyFCKXSRPMSVBSED-AABGKKOBSA-N
MW445.52 g/mol
LogP1.76
Rot. Bonds4

About [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate

[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 11178302) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID11178302
Molecular FormulaC23H31N3O6
Molecular Weight445.52 g/mol
Exact Mass445.22
IUPAC Name[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(NO)[C@H]1CN(C(=O)O[C@@H]2CCOC2)CC[C@@H]1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H31N3O6/c27-21(24-30)20-14-26(23(29)32-18-9-13-31-15-18)12-8-19(20)22(28)25-10-6-17(7-11-25)16-4-2-1-3-5-16/h1-5,17-20,30H,6-15H2,(H,24,27)/t18-,19+,20+/m1/s1
InChIKeyFCKXSRPMSVBSED-AABGKKOBSA-N
XLogP1.76
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate (CID 11178302) is [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate is O=C(NO)[C@H]1CN(C(=O)O[C@@H]2CCOC2)CC[C@@H]1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is FCKXSRPMSVBSED-AABGKKOBSA-N. The full InChI is InChI=1S/C23H31N3O6/c27-21(24-30)20-14-26(23(29)32-18-9-13-31-15-18)12-8-19(20)22(28)25-10-6-17(7-11-25)16-4-2-1-3-5-16/h1-5,17-20,30H,6-15H2,(H,24,27)/t18-,19+,20+/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate?
[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 11178302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).