(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione

C21H27N2O2+ — CID 7455717

IUPAC(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-20-15-18(21(25)23(20)16-9-3-1-4-10-16)17-11-5-6-12-19(17)22-13-7-2-8-14-22/h1,3-4,9-10,12,17-18H,2,5-8,11,13-15H2/p+1/t17-,18-/m1/s1
InChIKeyMIXFAAAACQFFCU-QZTJIDSGSA-O
MW339.46 g/mol
LogP2.32
Rot. Bonds3

About (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione

(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione (PubChem CID 7455717) has the molecular formula C21H27N2O2+ and a molecular weight of 339.46 g/mol. Its IUPAC name is (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
PubChem CID7455717
Molecular FormulaC21H27N2O2+
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-20-15-18(21(25)23(20)16-9-3-1-4-10-16)17-11-5-6-12-19(17)22-13-7-2-8-14-22/h1,3-4,9-10,12,17-18H,2,5-8,11,13-15H2/p+1/t17-,18-/m1/s1
InChIKeyMIXFAAAACQFFCU-QZTJIDSGSA-O
XLogP2.32
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(4-methylphenyl)-3-[(1S)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455728
(3S)-1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7223208
(3R)-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 7455700
(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455616
(3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7074122
cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4743964
cyclohexyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7329489
N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
CID 23745237
7-phenyl-2,3,5,5a,8a,9-hexahydro-[1,4]dioxino[2,3-f]isoindole-6,8-dione
CID 102204081
(3R)-3-(4-methylpiperidin-1-ium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6922087
(4aR,7aS)-3-phenyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 14666787
(4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 91738144

Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione (CID 7455717) is (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The InChIKey is MIXFAAAACQFFCU-QZTJIDSGSA-O. The full InChI is InChI=1S/C21H26N2O2/c24-20-15-18(21(25)23(20)16-9-3-1-4-10-16)17-11-5-6-12-19(17)22-13-7-2-8-14-22/h1,3-4,9-10,12,17-18H,2,5-8,11,13-15H2/p+1/t17-,18-/m1/s1.
What are the key properties of (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione has a molecular weight of 339.46 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7455717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).