(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione

C24H28FN3O3 — CID 7353562

IUPAC(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2CCC(CN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-31-21-8-2-18(3-9-21)16-27-12-10-17(11-13-27)15-26-22-14-23(29)28(24(22)30)20-6-4-19(25)5-7-20/h2-9,17,22,26H,10-16H2,1H3/t22-/m1/s1
InChIKeyIAGJDOICEJZWKJ-JOCHJYFZSA-N
MW425.50 g/mol
LogP2.97
Rot. Bonds7

About (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione

(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione (PubChem CID 7353562) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
PubChem CID7353562
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2CCC(CN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-31-21-8-2-18(3-9-21)16-27-12-10-17(11-13-27)15-26-22-14-23(29)28(24(22)30)20-6-4-19(25)5-7-20/h2-9,17,22,26H,10-16H2,1H3/t22-/m1/s1
InChIKeyIAGJDOICEJZWKJ-JOCHJYFZSA-N
XLogP2.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]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

1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
CID 5306086
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
CID 4077280
1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 17118443
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylethylamino)pyrrolidine-2,5-dione
CID 3148436
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944
methyl 4-[(3R)-3-[(4-methoxyphenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1109153
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione (CID 7353562) is (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione is COc1ccc(CN2CCC(CN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is IAGJDOICEJZWKJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-31-21-8-2-18(3-9-21)16-27-12-10-17(11-13-27)15-26-22-14-23(29)28(24(22)30)20-6-4-19(25)5-7-20/h2-9,17,22,26H,10-16H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione?
(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 425.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 7353562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).