tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate

C22H25N5O4 — CID 126673544

IUPACtert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C(O)C(N2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C22H25N5O4/c1-22(2,3)31-21(29)26-12-14(24-25-23)20(28)17(13-26)27-15-8-4-6-10-18(15)30-19-11-7-5-9-16(19)27/h4-11,14,17,20,28H,12-13H2,1-3H3
InChIKeyOJIQPIZDZGOANN-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.59
Rot. Bonds2

About tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate

tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate (PubChem CID 126673544) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
PubChem CID126673544
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Nametert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C(O)C(N2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C22H25N5O4/c1-22(2,3)31-21(29)26-12-14(24-25-23)20(28)17(13-26)27-15-8-4-6-10-18(15)30-19-11-7-5-9-16(19)27/h4-11,14,17,20,28H,12-13H2,1-3H3
InChIKeyOJIQPIZDZGOANN-UHFFFAOYSA-N
XLogP4.59
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R,4R,5R)-3,4-dihydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
CID 175198783
tert-butyl (3R,4S,5S)-3-amino-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
CID 126694122
tert-butyl (4R)-3-azido-4-hydroxypiperidine-1-carboxylate
CID 134386921
tert-butyl (3S,4S)-3-azido-4-phenylmethoxypyrrolidine-1-carboxylate
CID 71242971
tert-butyl (3R,4S)-3-azido-4-(benzhydrylideneamino)piperidine-1-carboxylate
CID 131730338
tert-butyl (1S,5S,6R)-5-azido-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 155797753
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
tert-butyl (3S,4R,5R)-4-hydroxy-3-phenoxazin-10-yl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 169430287
tert-butyl 3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 122590806
tert-butyl (3S,4S)-3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 134363687
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate (CID 126673544) is tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C(O)C(N2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate?
The InChIKey is OJIQPIZDZGOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-22(2,3)31-21(29)26-12-14(24-25-23)20(28)17(13-26)27-15-8-4-6-10-18(15)30-19-11-7-5-9-16(19)27/h4-11,14,17,20,28H,12-13H2,1-3H3.
What are the key properties of tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate?
tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-azido-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate is sourced from PubChem (CID 126673544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).