3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione

C23H32FN5O3 — CID 167463482

IUPAC3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESNC1CCN(C(=O)CCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C23H32FN5O3/c24-19-15-16(18-2-4-21(30)26-23(18)32)1-3-20(19)28-13-11-27(12-14-28)8-7-22(31)29-9-5-17(25)6-10-29/h1,3,15,17-18H,2,4-14,25H2,(H,26,30,32)
InChIKeyQGRYRJPKEQGQDJ-UHFFFAOYSA-N
MW445.54 g/mol
LogP0.81
Rot. Bonds5

About 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione

3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione (PubChem CID 167463482) has the molecular formula C23H32FN5O3 and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
PubChem CID167463482
Molecular FormulaC23H32FN5O3
Molecular Weight445.54 g/mol
Exact Mass445.25
IUPAC Name3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
SMILESNC1CCN(C(=O)CCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C23H32FN5O3/c24-19-15-16(18-2-4-21(30)26-23(18)32)1-3-20(19)28-13-11-27(12-14-28)8-7-22(31)29-9-5-17(25)6-10-29/h1,3,15,17-18H,2,4-14,25H2,(H,26,30,32)
InChIKeyQGRYRJPKEQGQDJ-UHFFFAOYSA-N
XLogP0.81
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
tert-butyl 4-[[4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177363904
3-[5-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]piperidine-2,6-dione
CID 170004132
3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463156
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
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]pyrazol-1-yl]piperidine-2,6-dione
CID 167463550
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-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 167463656
3-[3-fluoro-4-[4-[(2S)-2-(1-nitrosopiperidin-4-yl)propyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 167463458
3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione
CID 177065318

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione (CID 167463482) is 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione is NC1CCN(C(=O)CCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3F)CC2)CC1.
What is the InChIKey of 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
The InChIKey is QGRYRJPKEQGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O3/c24-19-15-16(18-2-4-21(30)26-23(18)32)1-3-20(19)28-13-11-27(12-14-28)8-7-22(31)29-9-5-17(25)6-10-29/h1,3,15,17-18H,2,4-14,25H2,(H,26,30,32).
What are the key properties of 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione?
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione has a molecular weight of 445.54 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).