1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione

C16H17BrN2O3 — CID 113083056

IUPAC1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
SMILESO=C(c1ccccc1Br)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)16(22)18-9-7-11(8-10-18)19-14(20)5-6-15(19)21/h1-4,11H,5-10H2
InChIKeyFASFKXINBOVCAC-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.20
Rot. Bonds2

About 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione

1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione (PubChem CID 113083056) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
PubChem CID113083056
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
SMILESO=C(c1ccccc1Br)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)16(22)18-9-7-11(8-10-18)19-14(20)5-6-15(19)21/h1-4,11H,5-10H2
InChIKeyFASFKXINBOVCAC-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.20
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

(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione (CID 113083056) is 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione is O=C(c1ccccc1Br)N1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is FASFKXINBOVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)16(22)18-9-7-11(8-10-18)19-14(20)5-6-15(19)21/h1-4,11H,5-10H2.
What are the key properties of 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 365.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 113083056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).