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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Related Compounds

3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463632
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463189
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463482
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide
CID 175911995
3-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]piperidine-2,6-dione;3,3,3-trifluoroprop-1-en-2-ol
CID 177364562
[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-methylpiperidin-4-yl]methyl 4-methylbenzenesulfonate
CID 167463399
N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide
CID 175910989
3-[4-[4-(4-aminopiperidin-1-yl)-3-fluoropiperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172589839
3-[4-[2-(1-aminopiperidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]-3-fluoro-N-methylanilino]piperidine-2,6-dione
CID 167463582

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).