1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

C15H17ClN2O2 — CID 2827716

IUPAC1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c16-11-5-4-6-12(9-11)18-14(19)10-13(15(18)20)17-7-2-1-3-8-17/h4-6,9,13H,1-3,7-8,10H2
InChIKeyCBZHGQVJJYXNKI-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.46
Rot. Bonds2

About 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 2827716) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID2827716
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c16-11-5-4-6-12(9-11)18-14(19)10-13(15(18)20)17-7-2-1-3-8-17/h4-6,9,13H,1-3,7-8,10H2
InChIKeyCBZHGQVJJYXNKI-UHFFFAOYSA-N
XLogP2.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
(3S)-1-(3-chlorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 1258867
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 1238179
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7106893
(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 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 2827716) is 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCCCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is CBZHGQVJJYXNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-5-4-6-12(9-11)18-14(19)10-13(15(18)20)17-7-2-1-3-8-17/h4-6,9,13H,1-3,7-8,10H2.
What are the key properties of 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 292.77 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2827716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).