5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H25FN4O4 — CID 145414296

IUPAC5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(N2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(C)c1F
InChIInChI=1S/C19H25FN4O4/c1-12-10-13(11-14(28-3)16(12)20)23-6-8-24(9-7-23)15(25)4-5-19(2)17(26)21-18(27)22-19/h10-11H,4-9H2,1-3H3,(H2,21,22,26,27)
InChIKeyWWNBDKFBGOOBGN-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.17
Rot. Bonds5

About 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 145414296) has the molecular formula C19H25FN4O4 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID145414296
Molecular FormulaC19H25FN4O4
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(N2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(C)c1F
InChIInChI=1S/C19H25FN4O4/c1-12-10-13(11-14(28-3)16(12)20)23-6-8-24(9-7-23)15(25)4-5-19(2)17(26)21-18(27)22-19/h10-11H,4-9H2,1-3H3,(H2,21,22,26,27)
InChIKeyWWNBDKFBGOOBGN-UHFFFAOYSA-N
XLogP1.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 145414296) is 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is COc1cc(N2CCN(C(=O)CCC3(C)NC(=O)NC3=O)CC2)cc(C)c1F.
What is the InChIKey of 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WWNBDKFBGOOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4/c1-12-10-13(11-14(28-3)16(12)20)23-6-8-24(9-7-23)15(25)4-5-19(2)17(26)21-18(27)22-19/h10-11H,4-9H2,1-3H3,(H2,21,22,26,27).
What are the key properties of 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 392.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluoro-3-methoxy-5-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 145414296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).