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

C26H37FN4O2 — CID 167463632

IUPAC3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESCC1(CN2CCC3(CC2)CC(N)C3)CCN(c2ccc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C26H37FN4O2/c1-25(17-30-10-8-26(9-11-30)15-19(28)16-26)6-12-31(13-7-25)22-4-2-18(14-21(22)27)20-3-5-23(32)29-24(20)33/h2,4,14,19-20H,3,5-13,15-17,28H2,1H3,(H,29,32,33)
InChIKeyFYKNZFJXOOOZIS-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.16
Rot. Bonds4

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

3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione (PubChem CID 167463632) has the molecular formula C26H37FN4O2 and a molecular weight of 456.61 g/mol. Its IUPAC name is 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
PubChem CID167463632
Molecular FormulaC26H37FN4O2
Molecular Weight456.61 g/mol
Exact Mass456.29
IUPAC Name3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESCC1(CN2CCC3(CC2)CC(N)C3)CCN(c2ccc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C26H37FN4O2/c1-25(17-30-10-8-26(9-11-30)15-19(28)16-26)6-12-31(13-7-25)22-4-2-18(14-21(22)27)20-3-5-23(32)29-24(20)33/h2,4,14,19-20H,3,5-13,15-17,28H2,1H3,(H,29,32,33)
InChIKeyFYKNZFJXOOOZIS-UHFFFAOYSA-N
XLogP3.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.16
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-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463156
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
[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-4-methylpiperidin-4-yl]methyl 4-methylbenzenesulfonate
CID 167463399
N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
CID 175912021
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-[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-[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
tert-butyl 4-[[4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177363904
3-[3-fluoro-4-[4-[(2S)-2-(1-nitrosopiperidin-4-yl)propyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 167463458
3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 177052731

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione is CC1(CN2CCC3(CC2)CC(N)C3)CCN(c2ccc(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The InChIKey is FYKNZFJXOOOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O2/c1-25(17-30-10-8-26(9-11-30)15-19(28)16-26)6-12-31(13-7-25)22-4-2-18(14-21(22)27)20-3-5-23(32)29-24(20)33/h2,4,14,19-20H,3,5-13,15-17,28H2,1H3,(H,29,32,33).
What are the key properties of 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione has a molecular weight of 456.61 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(2-amino-7-azaspiro[3.5]nonan-7-yl)methyl]-4-methylpiperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).