2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one

C24H24FN3O3 — CID 30859055

IUPAC2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-8-6-19(7-9-20)17-31-23-15-26-21(14-22(23)29)24(30)28-12-10-27(11-13-28)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,26,29)
InChIKeyZQLXWEOPBIPKRD-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one

2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one (PubChem CID 30859055) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one
PubChem CID30859055
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-8-6-19(7-9-20)17-31-23-15-26-21(14-22(23)29)24(30)28-12-10-27(11-13-28)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,26,29)
InChIKeyZQLXWEOPBIPKRD-UHFFFAOYSA-N
XLogP3.05
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one (CID 30859055) is 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one is O=C(c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one?
The InChIKey is ZQLXWEOPBIPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-20-8-6-19(7-9-20)17-31-23-15-26-21(14-22(23)29)24(30)28-12-10-27(11-13-28)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,26,29).
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one?
2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one has a molecular weight of 421.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one is sourced from PubChem (CID 30859055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).