5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H25FN4O4 — CID 121437786

IUPAC5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cccc(F)c2)[C@@H](C)C1
InChIInChI=1S/C19H25FN4O4/c1-12-11-23(7-8-24(12)14-6-4-5-13(20)9-14)16(25)15(28-3)10-19(2)17(26)21-18(27)22-19/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H2,21,22,26,27)/t12-,15?,19?/m0/s1
InChIKeyQMZABDBWNSZVLI-UUZUZFRQSA-N
MW392.43 g/mol
LogP0.87
Rot. Bonds5

About 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437786) has the molecular formula C19H25FN4O4 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437786
Molecular FormulaC19H25FN4O4
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cccc(F)c2)[C@@H](C)C1
InChIInChI=1S/C19H25FN4O4/c1-12-11-23(7-8-24(12)14-6-4-5-13(20)9-14)16(25)15(28-3)10-19(2)17(26)21-18(27)22-19/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H2,21,22,26,27)/t12-,15?,19?/m0/s1
InChIKeyQMZABDBWNSZVLI-UUZUZFRQSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437786) is 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione is COC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cccc(F)c2)[C@@H](C)C1.
What is the InChIKey of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QMZABDBWNSZVLI-UUZUZFRQSA-N. The full InChI is InChI=1S/C19H25FN4O4/c1-12-11-23(7-8-24(12)14-6-4-5-13(20)9-14)16(25)15(28-3)10-19(2)17(26)21-18(27)22-19/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H2,21,22,26,27)/t12-,15?,19?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 392.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-methoxy-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).