1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one

C22H26FN5O2 — CID 24819009

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1cccc(F)c1
InChIInChI=1S/C22H26FN5O2/c23-19-3-1-2-17(14-19)6-9-28-16-18(4-5-21(28)29)22(30)27-12-10-26(11-13-27)20-15-24-7-8-25-20/h1-3,7-8,14-15,18H,4-6,9-13,16H2
InChIKeyTXESULQSQHPRAK-UHFFFAOYSA-N
MW411.48 g/mol
LogP1.75
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one

1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 24819009) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID24819009
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1cccc(F)c1
InChIInChI=1S/C22H26FN5O2/c23-19-3-1-2-17(14-19)6-9-28-16-18(4-5-21(28)29)22(30)27-12-10-26(11-13-27)20-15-24-7-8-25-20/h1-3,7-8,14-15,18H,4-6,9-13,16H2
InChIKeyTXESULQSQHPRAK-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 24819009) is 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is TXESULQSQHPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c23-19-3-1-2-17(14-19)6-9-28-16-18(4-5-21(28)29)22(30)27-12-10-26(11-13-27)20-15-24-7-8-25-20/h1-3,7-8,14-15,18H,4-6,9-13,16H2.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 411.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24819009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).