3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate

C24H26FN3O3 — CID 10669967

IUPAC3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate
SMILESO=C(OCCCN1CCC(c2noc3cc(F)ccc23)CC1)N1CCc2ccccc21
InChIInChI=1S/C24H26FN3O3/c25-19-6-7-20-22(16-19)31-26-23(20)18-8-12-27(13-9-18)11-3-15-30-24(29)28-14-10-17-4-1-2-5-21(17)28/h1-2,4-7,16,18H,3,8-15H2
InChIKeyGGXJKCUEQAODHJ-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.74
Rot. Bonds5

About 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate

3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate (PubChem CID 10669967) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate
PubChem CID10669967
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate
SMILESO=C(OCCCN1CCC(c2noc3cc(F)ccc23)CC1)N1CCc2ccccc21
InChIInChI=1S/C24H26FN3O3/c25-19-6-7-20-22(16-19)31-26-23(20)18-8-12-27(13-9-18)11-3-15-30-24(29)28-14-10-17-4-1-2-5-21(17)28/h1-2,4-7,16,18H,3,8-15H2
InChIKeyGGXJKCUEQAODHJ-UHFFFAOYSA-N
XLogP4.74
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
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 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate (CID 10669967) is 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate is O=C(OCCCN1CCC(c2noc3cc(F)ccc23)CC1)N1CCc2ccccc21.
What is the InChIKey of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is GGXJKCUEQAODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-19-6-7-20-22(16-19)31-26-23(20)18-8-12-27(13-9-18)11-3-15-30-24(29)28-14-10-17-4-1-2-5-21(17)28/h1-2,4-7,16,18H,3,8-15H2.
What are the key properties of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate?
3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 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]propyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10669967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).