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

C25H26FN3O3 — CID 30858948

IUPAC2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one
SMILESCn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H26FN3O3/c1-27-17-24(32-18-20-7-9-21(26)10-8-20)23(30)15-22(27)25(31)29-13-11-28(12-14-29)16-19-5-3-2-4-6-19/h2-10,15,17H,11-14,16,18H2,1H3
InChIKeyWRJYYZHKEBCLEJ-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.06
Rot. Bonds6

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

2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one (PubChem CID 30858948) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one
PubChem CID30858948
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one
SMILESCn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H26FN3O3/c1-27-17-24(32-18-20-7-9-21(26)10-8-20)23(30)15-22(27)25(31)29-13-11-28(12-14-29)16-19-5-3-2-4-6-19/h2-10,15,17H,11-14,16,18H2,1H3
InChIKeyWRJYYZHKEBCLEJ-UHFFFAOYSA-N
XLogP3.06
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one (CID 30858948) is 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one is Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one?
The InChIKey is WRJYYZHKEBCLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-27-17-24(32-18-20-7-9-21(26)10-8-20)23(30)15-22(27)25(31)29-13-11-28(12-14-29)16-19-5-3-2-4-6-19/h2-10,15,17H,11-14,16,18H2,1H3.
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one?
2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one has a molecular weight of 435.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one is sourced from PubChem (CID 30858948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).