1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate

C23H24FN3O5 — CID 10551135

IUPAC1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate
SMILESCC(CN1CCC(c2noc3cc(F)ccc23)CC1)OC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H24FN3O5/c1-14(31-23(28)25-17-3-5-19-21(11-17)30-13-29-19)12-27-8-6-15(7-9-27)22-18-4-2-16(24)10-20(18)32-26-22/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,25,28)
InChIKeyFEMMYYYIAIBEEF-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.51
Rot. Bonds5

About 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate (PubChem CID 10551135) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate.

Molecular Properties

Compound Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate
PubChem CID10551135
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate
SMILESCC(CN1CCC(c2noc3cc(F)ccc23)CC1)OC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H24FN3O5/c1-14(31-23(28)25-17-3-5-19-21(11-17)30-13-29-19)12-27-8-6-15(7-9-27)22-18-4-2-16(24)10-20(18)32-26-22/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,25,28)
InChIKeyFEMMYYYIAIBEEF-UHFFFAOYSA-N
XLogP4.51
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate?
The IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate (CID 10551135) is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate.
What is the SMILES notation for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate?
The canonical SMILES for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate is CC(CN1CCC(c2noc3cc(F)ccc23)CC1)OC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate?
The InChIKey is FEMMYYYIAIBEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5/c1-14(31-23(28)25-17-3-5-19-21(11-17)30-13-29-19)12-27-8-6-15(7-9-27)22-18-4-2-16(24)10-20(18)32-26-22/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,25,28).
What are the key properties of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate?
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate has a molecular weight of 441.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-yl N-(1,3-benzodioxol-5-yl)carbamate is sourced from PubChem (CID 10551135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).