(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C27H33FN4O4 — CID 42275647

IUPAC(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C27H33FN4O4/c1-29(2)11-16-32-25(34)19-27(26(32)35,20-7-6-8-21(28)17-20)18-24(33)31-14-12-30(13-15-31)22-9-4-5-10-23(22)36-3/h4-10,17H,11-16,18-19H2,1-3H3/t27-/m1/s1
InChIKeySSXMMBOALUOXDK-HHHXNRCGSA-N
MW496.58 g/mol
LogP2.13
Rot. Bonds8

About (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 42275647) has the molecular formula C27H33FN4O4 and a molecular weight of 496.58 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID42275647
Molecular FormulaC27H33FN4O4
Molecular Weight496.58 g/mol
Exact Mass496.25
IUPAC Name(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C27H33FN4O4/c1-29(2)11-16-32-25(34)19-27(26(32)35,20-7-6-8-21(28)17-20)18-24(33)31-14-12-30(13-15-31)22-9-4-5-10-23(22)36-3/h4-10,17H,11-16,18-19H2,1-3H3/t27-/m1/s1
InChIKeySSXMMBOALUOXDK-HHHXNRCGSA-N
XLogP2.13
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]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)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 125160319
(3R)-1-[2-(dimethylamino)ethyl]-3-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42193124
(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 125162557
(3S)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 42277059
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 118756752
(3R)-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 29153220
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45198301
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
2-[1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118760256
2-[(3S)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 42343610
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42369572
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45196529

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 42275647) is (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(CCN(C)C)C2=O)CC1.
What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is SSXMMBOALUOXDK-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H33FN4O4/c1-29(2)11-16-32-25(34)19-27(26(32)35,20-7-6-8-21(28)17-20)18-24(33)31-14-12-30(13-15-31)22-9-4-5-10-23(22)36-3/h4-10,17H,11-16,18-19H2,1-3H3/t27-/m1/s1.
What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 496.58 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42275647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).