3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C26H29ClFN3O3 — CID 54692623

IUPAC3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(Cl)cc2)N2CCN(c3ccccc3F)CC2)c1=O
InChIInChI=1S/C26H29ClFN3O3/c1-18-17-23(32)24(26(33)31(18)15-16-34-2)25(19-7-9-20(27)10-8-19)30-13-11-29(12-14-30)22-6-4-3-5-21(22)28/h3-10,17,25,32H,11-16H2,1-2H3
InChIKeyUVLBMPCKGYEZPU-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.21
Rot. Bonds7

About 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54692623) has the molecular formula C26H29ClFN3O3 and a molecular weight of 485.99 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54692623
Molecular FormulaC26H29ClFN3O3
Molecular Weight485.99 g/mol
Exact Mass485.19
IUPAC Name3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccc(Cl)cc2)N2CCN(c3ccccc3F)CC2)c1=O
InChIInChI=1S/C26H29ClFN3O3/c1-18-17-23(32)24(26(33)31(18)15-16-34-2)25(19-7-9-20(27)10-8-19)30-13-11-29(12-14-30)22-6-4-3-5-21(22)28/h3-10,17,25,32H,11-16H2,1-2H3
InChIKeyUVLBMPCKGYEZPU-UHFFFAOYSA-N
XLogP4.21
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-(phenyl(4-phenylpiperazin-1-yl)methyl)pyridin-2(1H)-one
CID 54703744
3-((4-(2-fluorophenyl)piperazin-1-yl)(phenyl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703746
3-[(2-Chlorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703753
3-[(3-Chlorophenyl)(4-ethylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703756
3-{[4-(4-Fluorophenyl)piperazin-1-YL](phenyl)methyl}-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54675966
3-[(2-Chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703754
3-[(2-Chlorophenyl)(4-phenylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703755
3-[(4-Chlorophenyl)(piperidin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703757
3-[(4-Chlorophenyl)(4-ethylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703758
3-[(4-Chlorophenyl)(4-phenylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703759
3-[(2-Fluorophenyl)(4-phenylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703761
3-[(3-Fluorophenyl)(4-phenylpiperazin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703764

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54692623) is 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccc(Cl)cc2)N2CCN(c3ccccc3F)CC2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is UVLBMPCKGYEZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN3O3/c1-18-17-23(32)24(26(33)31(18)15-16-34-2)25(19-7-9-20(27)10-8-19)30-13-11-29(12-14-30)22-6-4-3-5-21(22)28/h3-10,17,25,32H,11-16H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 485.99 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54692623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).