N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C23H26FN3O4 — CID 162677443

IUPACN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C23H26FN3O4/c1-15(28)25-18-3-5-20(6-4-18)30-14-19(29)13-27-10-8-16(9-11-27)23-21-7-2-17(24)12-22(21)31-26-23/h2-7,12,16,19,29H,8-11,13-14H2,1H3,(H,25,28)
InChIKeyCCFLRMSKSIAMJZ-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.54
Rot. Bonds7

About N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 162677443) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID162677443
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C23H26FN3O4/c1-15(28)25-18-3-5-20(6-4-18)30-14-19(29)13-27-10-8-16(9-11-27)23-21-7-2-17(24)12-22(21)31-26-23/h2-7,12,16,19,29H,8-11,13-14H2,1H3,(H,25,28)
InChIKeyCCFLRMSKSIAMJZ-UHFFFAOYSA-N
XLogP3.54
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 162677443) is N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is CCFLRMSKSIAMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-15(28)25-18-3-5-20(6-4-18)30-14-19(29)13-27-10-8-16(9-11-27)23-21-7-2-17(24)12-22(21)31-26-23/h2-7,12,16,19,29H,8-11,13-14H2,1H3,(H,25,28).
What are the key properties of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 162677443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).