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

C19H26N4O2 — CID 3268489

IUPAC2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2/c24-18-17-8-4-5-9-22(17)19(25)23(18)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2
InChIKeyOXATVBWBMADIMC-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.63
Rot. Bonds4

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

2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 3268489) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID3268489
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2/c24-18-17-8-4-5-9-22(17)19(25)23(18)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2
InChIKeyOXATVBWBMADIMC-UHFFFAOYSA-N
XLogP1.63
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.63
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-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 3268489) is 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is OXATVBWBMADIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-17-8-4-5-9-22(17)19(25)23(18)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2.
What are the key properties of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 342.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 3268489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).