2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one

C24H26FN3O2S — CID 42432358

IUPAC2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one
SMILESCCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1Cc1cccs1
InChIInChI=1S/C24H26FN3O2S/c1-3-21-23(22(29)15-17(2)28(21)16-20-5-4-14-31-20)24(30)27-12-10-26(11-13-27)19-8-6-18(25)7-9-19/h4-9,14-15H,3,10-13,16H2,1-2H3
InChIKeyOBILSTQKLSKTJY-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.93
Rot. Bonds5

About 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one

2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one (PubChem CID 42432358) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one
PubChem CID42432358
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC Name2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one
SMILESCCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1Cc1cccs1
InChIInChI=1S/C24H26FN3O2S/c1-3-21-23(22(29)15-17(2)28(21)16-20-5-4-14-31-20)24(30)27-12-10-26(11-13-27)19-8-6-18(25)7-9-19/h4-9,14-15H,3,10-13,16H2,1-2H3
InChIKeyOBILSTQKLSKTJY-UHFFFAOYSA-N
XLogP3.93
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one
CID 42485502
2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
CID 45237079
2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one
CID 26361270
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 950132
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone
CID 4292802
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 70756746
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 60599375

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one (CID 42432358) is 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one is CCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1Cc1cccs1.
What is the InChIKey of 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one?
The InChIKey is OBILSTQKLSKTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-3-21-23(22(29)15-17(2)28(21)16-20-5-4-14-31-20)24(30)27-12-10-26(11-13-27)19-8-6-18(25)7-9-19/h4-9,14-15H,3,10-13,16H2,1-2H3.
What are the key properties of 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one?
2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one has a molecular weight of 439.56 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one is sourced from PubChem (CID 42432358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).