3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione

C24H33FN4O2 — CID 167463156

IUPAC3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESNC1CCN(C2CC3(CCN(c4ccc(C5CCC(=O)NC5=O)cc4F)CC3)C2)CC1
InChIInChI=1S/C24H33FN4O2/c25-20-13-16(19-2-4-22(30)27-23(19)31)1-3-21(20)29-11-7-24(8-12-29)14-18(15-24)28-9-5-17(26)6-10-28/h1,3,13,17-19H,2,4-12,14-15,26H2,(H,27,30,31)
InChIKeyINLSOZDUHZEZJU-UHFFFAOYSA-N
MW428.55 g/mol
LogP2.52
Rot. Bonds3

About 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione

3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione (PubChem CID 167463156) has the molecular formula C24H33FN4O2 and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
PubChem CID167463156
Molecular FormulaC24H33FN4O2
Molecular Weight428.55 g/mol
Exact Mass428.26
IUPAC Name3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESNC1CCN(C2CC3(CCN(c4ccc(C5CCC(=O)NC5=O)cc4F)CC3)C2)CC1
InChIInChI=1S/C24H33FN4O2/c25-20-13-16(19-2-4-22(30)27-23(19)31)1-3-21(20)29-11-7-24(8-12-29)14-18(15-24)28-9-5-17(26)6-10-28/h1,3,13,17-19H,2,4-12,14-15,26H2,(H,27,30,31)
InChIKeyINLSOZDUHZEZJU-UHFFFAOYSA-N
XLogP2.52
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione (CID 167463156) is 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione is NC1CCN(C2CC3(CCN(c4ccc(C5CCC(=O)NC5=O)cc4F)CC3)C2)CC1.
What is the InChIKey of 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione?
The InChIKey is INLSOZDUHZEZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O2/c25-20-13-16(19-2-4-22(30)27-23(19)31)1-3-21(20)29-11-7-24(8-12-29)14-18(15-24)28-9-5-17(26)6-10-28/h1,3,13,17-19H,2,4-12,14-15,26H2,(H,27,30,31).
What are the key properties of 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione?
3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione has a molecular weight of 428.55 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).