1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione

C16H17FN2O3 — CID 113083054

IUPAC1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
SMILESO=C(c1cccc(F)c1)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H17FN2O3/c17-12-3-1-2-11(10-12)16(22)18-8-6-13(7-9-18)19-14(20)4-5-15(19)21/h1-3,10,13H,4-9H2
InChIKeyBPYMTLYLXRDKTF-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.58
Rot. Bonds2

About 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione

1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione (PubChem CID 113083054) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
PubChem CID113083054
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
SMILESO=C(c1cccc(F)c1)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H17FN2O3/c17-12-3-1-2-11(10-12)16(22)18-8-6-13(7-9-18)19-14(20)4-5-15(19)21/h1-3,10,13H,4-9H2
InChIKeyBPYMTLYLXRDKTF-UHFFFAOYSA-N
XLogP1.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione (CID 113083054) is 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione is O=C(c1cccc(F)c1)N1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is BPYMTLYLXRDKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-12-3-1-2-11(10-12)16(22)18-8-6-13(7-9-18)19-14(20)4-5-15(19)21/h1-3,10,13H,4-9H2.
What are the key properties of 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione?
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 304.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 113083054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).