1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one

C22H27N5O2 — CID 45220606

IUPAC1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C22H27N5O2/c28-21-7-6-19(17-27(21)11-8-18-4-2-1-3-5-18)22(29)26-14-12-25(13-15-26)20-16-23-9-10-24-20/h1-5,9-10,16,19H,6-8,11-15,17H2
InChIKeyWKKKFYNJWPUAEQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.61
Rot. Bonds5

About 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one

1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 45220606) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID45220606
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C22H27N5O2/c28-21-7-6-19(17-27(21)11-8-18-4-2-1-3-5-18)22(29)26-14-12-25(13-15-26)20-16-23-9-10-24-20/h1-5,9-10,16,19H,6-8,11-15,17H2
InChIKeyWKKKFYNJWPUAEQ-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 45220606) is 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is WKKKFYNJWPUAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-21-7-6-19(17-27(21)11-8-18-4-2-1-3-5-18)22(29)26-14-12-25(13-15-26)20-16-23-9-10-24-20/h1-5,9-10,16,19H,6-8,11-15,17H2.
What are the key properties of 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 45220606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).