8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C25H32FN3O3 — CID 14576395

IUPAC8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C25H32FN3O3/c26-19-5-6-20-21(15-19)32-27-24(20)18-7-13-28(14-8-18)11-3-4-12-29-22(30)16-25(17-23(29)31)9-1-2-10-25/h5-6,15,18H,1-4,7-14,16-17H2
InChIKeyUFFGNTCFSXCDDW-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.64
Rot. Bonds6

About 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 14576395) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID14576395
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Name8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C25H32FN3O3/c26-19-5-6-20-21(15-19)32-27-24(20)18-7-13-28(14-8-18)11-3-4-12-29-22(30)16-25(17-23(29)31)9-1-2-10-25/h5-6,15,18H,1-4,7-14,16-17H2
InChIKeyUFFGNTCFSXCDDW-UHFFFAOYSA-N
XLogP4.64
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 14576395) is 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is UFFGNTCFSXCDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c26-19-5-6-20-21(15-19)32-27-24(20)18-7-13-28(14-8-18)11-3-4-12-29-22(30)16-25(17-23(29)31)9-1-2-10-25/h5-6,15,18H,1-4,7-14,16-17H2.
What are the key properties of 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 441.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 14576395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).