oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H24N2O4 — CID 121186640

IUPACoxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC1CCOC1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C18H24N2O4/c21-18(23-12-13-5-8-22-11-13)20-14-1-2-15(20)10-17(9-14)24-16-3-6-19-7-4-16/h3-4,6-7,13-15,17H,1-2,5,8-12H2
InChIKeyZYBVPOZKMBONBH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.63
Rot. Bonds4

About oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 121186640) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID121186640
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameoxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC1CCOC1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C18H24N2O4/c21-18(23-12-13-5-8-22-11-13)20-14-1-2-15(20)10-17(9-14)24-16-3-6-19-7-4-16/h3-4,6-7,13-15,17H,1-2,5,8-12H2
InChIKeyZYBVPOZKMBONBH-UHFFFAOYSA-N
XLogP2.63
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70823810
benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121186589
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
CID 121186331
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525
3-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-1,3-benzoxazol-2-one
CID 121186399
1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186348
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509
N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186684
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 121186650
1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
CID 121186423

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 121186640) is oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCC1CCOC1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is ZYBVPOZKMBONBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-18(23-12-13-5-8-22-11-13)20-14-1-2-15(20)10-17(9-14)24-16-3-6-19-7-4-16/h3-4,6-7,13-15,17H,1-2,5,8-12H2.
What are the key properties of oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 121186640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).