2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C18H23FN4O2 — CID 10617571

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c19-14-4-6-15(7-5-14)21-11-9-20(10-12-21)13-23-17(24)16-3-1-2-8-22(16)18(23)25/h4-7,16H,1-3,8-13H2
InChIKeyHVMNSDGRMOWMFI-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.72
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 10617571) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID10617571
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c19-14-4-6-15(7-5-14)21-11-9-20(10-12-21)13-23-17(24)16-3-1-2-8-22(16)18(23)25/h4-7,16H,1-3,8-13H2
InChIKeyHVMNSDGRMOWMFI-UHFFFAOYSA-N
XLogP1.72
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 10617571) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is HVMNSDGRMOWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-14-4-6-15(7-5-14)21-11-9-20(10-12-21)13-23-17(24)16-3-1-2-8-22(16)18(23)25/h4-7,16H,1-3,8-13H2.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 346.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 10617571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).