3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione

C23H31F2N3O2 — CID 177065318

IUPAC3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cc(F)c(N3CCN(CCC4CCCCC4)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C23H31F2N3O2/c24-19-14-17(18-6-7-21(29)26-23(18)30)15-20(25)22(19)28-12-10-27(11-13-28)9-8-16-4-2-1-3-5-16/h14-16,18H,1-13H2,(H,26,29,30)
InChIKeyQMMKNCNEEBBKOQ-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.58
Rot. Bonds5

About 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione

3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione (PubChem CID 177065318) has the molecular formula C23H31F2N3O2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione
PubChem CID177065318
Molecular FormulaC23H31F2N3O2
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cc(F)c(N3CCN(CCC4CCCCC4)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C23H31F2N3O2/c24-19-14-17(18-6-7-21(29)26-23(18)30)15-20(25)22(19)28-12-10-27(11-13-28)9-8-16-4-2-1-3-5-16/h14-16,18H,1-13H2,(H,26,29,30)
InChIKeyQMMKNCNEEBBKOQ-UHFFFAOYSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
CID 171406919
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463482
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114
3-[[4-[4-[2-(1-aminopiperidin-4-yl)ethyl]piperazin-1-yl]-3-fluorophenyl]methylamino]piperidine-2,6-dione
CID 176897638
3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 177065282
tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737838
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-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]piperidine-2,6-dione;3,3,3-trifluoroprop-1-en-2-ol
CID 177364562

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione (CID 177065318) is 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione is O=C1CCC(c2cc(F)c(N3CCN(CCC4CCCCC4)CC3)c(F)c2)C(=O)N1.
What is the InChIKey of 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione?
The InChIKey is QMMKNCNEEBBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N3O2/c24-19-14-17(18-6-7-21(29)26-23(18)30)15-20(25)22(19)28-12-10-27(11-13-28)9-8-16-4-2-1-3-5-16/h14-16,18H,1-13H2,(H,26,29,30).
What are the key properties of 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione?
3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione has a molecular weight of 419.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 177065318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).