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

C19H27FN4O3 — CID 166781066

IUPAC5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1CN(COCCCC2(C)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C19H27FN4O3/c1-14-12-23(8-9-24(14)16-6-3-5-15(20)11-16)13-27-10-4-7-19(2)17(25)21-18(26)22-19/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H2,21,22,25,26)/t14-,19?/m0/s1
InChIKeyHMCPYLPWWHVKOA-KTQQKIMGSA-N
MW378.45 g/mol
LogP1.69
Rot. Bonds7

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

5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 166781066) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione
PubChem CID166781066
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1CN(COCCCC2(C)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C19H27FN4O3/c1-14-12-23(8-9-24(14)16-6-3-5-15(20)11-16)13-27-10-4-7-19(2)17(25)21-18(26)22-19/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H2,21,22,25,26)/t14-,19?/m0/s1
InChIKeyHMCPYLPWWHVKOA-KTQQKIMGSA-N
XLogP1.69
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]methoxy]propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione (CID 166781066) is 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione is C[C@H]1CN(COCCCC2(C)NC(=O)NC2=O)CCN1c1cccc(F)c1.
What is the InChIKey of 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HMCPYLPWWHVKOA-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-14-12-23(8-9-24(14)16-6-3-5-15(20)11-16)13-27-10-4-7-19(2)17(25)21-18(26)22-19/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H2,21,22,25,26)/t14-,19?/m0/s1.
What are the key properties of 5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione?
5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of 1.69, 7 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]methoxy]propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 166781066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).