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

C18H24N4O2 — CID 10830143

IUPAC2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c23-17-16-8-4-5-9-21(16)18(24)22(17)14-19-10-12-20(13-11-19)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyYUCOHJIDKPRGDL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.58
Rot. Bonds3

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

2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 10830143) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID10830143
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c23-17-16-8-4-5-9-21(16)18(24)22(17)14-19-10-12-20(13-11-19)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyYUCOHJIDKPRGDL-UHFFFAOYSA-N
XLogP1.58
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.58
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-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 10830143) is 2-[(4-phenylpiperazin-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-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is YUCOHJIDKPRGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-16-8-4-5-9-21(16)18(24)22(17)14-19-10-12-20(13-11-19)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 328.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 10830143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).