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

C23H26FN3O3 — CID 15391752

IUPACN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C23H26FN3O3/c1-16(28)25-19-4-6-20(7-5-19)29-14-2-11-27-12-9-17(10-13-27)23-21-8-3-18(24)15-22(21)30-26-23/h3-8,15,17H,2,9-14H2,1H3,(H,25,28)
InChIKeyTVTNBOZUNDIPJR-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.57
Rot. Bonds7

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

N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide (PubChem CID 15391752) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
PubChem CID15391752
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C23H26FN3O3/c1-16(28)25-19-4-6-20(7-5-19)29-14-2-11-27-12-9-17(10-13-27)23-21-8-3-18(24)15-22(21)30-26-23/h3-8,15,17H,2,9-14H2,1H3,(H,25,28)
InChIKeyTVTNBOZUNDIPJR-UHFFFAOYSA-N
XLogP4.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide (CID 15391752) is N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is TVTNBOZUNDIPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-16(28)25-19-4-6-20(7-5-19)29-14-2-11-27-12-9-17(10-13-27)23-21-8-3-18(24)15-22(21)30-26-23/h3-8,15,17H,2,9-14H2,1H3,(H,25,28).
What are the key properties of N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide?
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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]propoxy]phenyl]acetamide is sourced from PubChem (CID 15391752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).