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

C18H24FN3O3 — CID 41253741

IUPAC(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
SMILESCOCCCN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C18H24FN3O3/c1-25-12-2-7-22-17(23)13-16(18(22)24)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h3-6,16H,2,7-13H2,1H3/t16-/m1/s1
InChIKeyOZAKNOAVLOZJOW-MRXNPFEDSA-N
MW349.41 g/mol
LogP1.11
Rot. Bonds6

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

(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione (PubChem CID 41253741) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
PubChem CID41253741
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
SMILESCOCCCN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C18H24FN3O3/c1-25-12-2-7-22-17(23)13-16(18(22)24)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h3-6,16H,2,7-13H2,1H3/t16-/m1/s1
InChIKeyOZAKNOAVLOZJOW-MRXNPFEDSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)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

(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
1-(4-butoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2869099
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 7195453
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 2991993
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione
CID 2850961
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 4878079
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7456330
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methylsulfanylphenyl)pyrrolidine-2,5-dione
CID 51575256

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione (CID 41253741) is (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione is COCCCN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
The InChIKey is OZAKNOAVLOZJOW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-25-12-2-7-22-17(23)13-16(18(22)24)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h3-6,16H,2,7-13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione has a molecular weight of 349.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 41253741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).