[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate

C18H24FN3O3 — CID 67071116

IUPAC[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate
SMILESCNC(=O)OCC(C)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C18H24FN3O3/c1-12(11-24-18(23)20-2)10-22-7-5-13(6-8-22)17-15-4-3-14(19)9-16(15)25-21-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyVZEAMDONLJCOAU-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.14
Rot. Bonds5

About [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate

[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate (PubChem CID 67071116) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate
PubChem CID67071116
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate
SMILESCNC(=O)OCC(C)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C18H24FN3O3/c1-12(11-24-18(23)20-2)10-22-7-5-13(6-8-22)17-15-4-3-14(19)9-16(15)25-21-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyVZEAMDONLJCOAU-UHFFFAOYSA-N
XLogP3.14
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate?
The IUPAC name of [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate (CID 67071116) is [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate.
What is the SMILES notation for [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate?
The canonical SMILES for [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate is CNC(=O)OCC(C)CN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate?
The InChIKey is VZEAMDONLJCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-12(11-24-18(23)20-2)10-22-7-5-13(6-8-22)17-15-4-3-14(19)9-16(15)25-21-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate?
[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate has a molecular weight of 349.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate is sourced from PubChem (CID 67071116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).