ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate

C15H19N3O5 — CID 155964031

IUPACethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(Cc2cccc3nonc23)CC(O)C1O
InChIInChI=1S/C15H19N3O5/c1-2-22-15(21)10-7-18(8-12(19)14(10)20)6-9-4-3-5-11-13(9)17-23-16-11/h3-5,10,12,14,19-20H,2,6-8H2,1H3
InChIKeyUJZOHBAVEOECNH-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.06
Rot. Bonds4

About ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate

ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate (PubChem CID 155964031) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate
PubChem CID155964031
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Nameethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(Cc2cccc3nonc23)CC(O)C1O
InChIInChI=1S/C15H19N3O5/c1-2-22-15(21)10-7-18(8-12(19)14(10)20)6-9-4-3-5-11-13(9)17-23-16-11/h3-5,10,12,14,19-20H,2,6-8H2,1H3
InChIKeyUJZOHBAVEOECNH-UHFFFAOYSA-N
XLogP-0.06
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-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

(3S,4R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134714318
ethyl (1R,2R,4S)-7-(2,1,3-benzoxadiazol-4-ylmethyl)-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 146042638
(3R,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
CID 164641494
1-(2,1,3-benzoxadiazol-4-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691482
N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95211325
4-[[(4R)-4-methylazocan-1-yl]methyl]-2,1,3-benzoxadiazole
CID 70887571
(3S)-2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99951668
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649
(1R,2S,8R,9S)-11-(2,1,3-benzoxadiazol-4-ylmethyl)-N-cyclopropyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171914391
ethyl (3S,4S)-1-[[2-[(E)-4-ethoxy-4-oxobut-2-enyl]phenyl]methyl]-4-methylpyrrolidine-3-carboxylate
CID 145438173
N-[[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 164635879

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate (CID 155964031) is ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate is CCOC(=O)C1CN(Cc2cccc3nonc23)CC(O)C1O.
What is the InChIKey of ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate?
The InChIKey is UJZOHBAVEOECNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-2-22-15(21)10-7-18(8-12(19)14(10)20)6-9-4-3-5-11-13(9)17-23-16-11/h3-5,10,12,14,19-20H,2,6-8H2,1H3.
What are the key properties of ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate?
ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate has a molecular weight of 321.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4,5-dihydroxypiperidine-3-carboxylate is sourced from PubChem (CID 155964031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).