(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione

C24H30ClN3O2 — CID 7106893

IUPAC(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H30ClN3O2/c25-19-2-1-3-20(11-19)28-22(29)12-21(23(28)30)26-4-6-27(7-5-26)24-13-16-8-17(14-24)10-18(9-16)15-24/h1-3,11,16-18,21H,4-10,12-15H2/t16?,17?,18?,21-,24?/m1/s1
InChIKeyDBEPJJYQQWIPPP-WWKNUYBVSA-N
MW427.98 g/mol
LogP3.56
Rot. Bonds3

About (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione

(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 7106893) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID7106893
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H30ClN3O2/c25-19-2-1-3-20(11-19)28-22(29)12-21(23(28)30)26-4-6-27(7-5-26)24-13-16-8-17(14-24)10-18(9-16)15-24/h1-3,11,16-18,21H,4-10,12-15H2/t16?,17?,18?,21-,24?/m1/s1
InChIKeyDBEPJJYQQWIPPP-WWKNUYBVSA-N
XLogP3.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
3-[4-(1-adamantyl)piperazin-1-yl]-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
CID 3678386
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 1238179
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
methyl 4-[(3S)-3-[4-(1-adamantyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 92762684
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 7106893) is (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is DBEPJJYQQWIPPP-WWKNUYBVSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c25-19-2-1-3-20(11-19)28-22(29)12-21(23(28)30)26-4-6-27(7-5-26)24-13-16-8-17(14-24)10-18(9-16)15-24/h1-3,11,16-18,21H,4-10,12-15H2/t16?,17?,18?,21-,24?/m1/s1.
What are the key properties of (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 427.98 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7106893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).