ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate

C24H31FN2O5 — CID 54703762

IUPACethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C24H31FN2O5/c1-4-32-24(30)17-8-10-26(11-9-17)22(18-6-5-7-19(25)15-18)21-20(28)14-16(2)27(23(21)29)12-13-31-3/h5-7,14-15,17,22,28H,4,8-13H2,1-3H3
InChIKeyVNJUIKRVCXBGLC-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.01
Rot. Bonds8

About ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate

ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 54703762) has the molecular formula C24H31FN2O5 and a molecular weight of 446.52 g/mol. Its IUPAC name is ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID54703762
Molecular FormulaC24H31FN2O5
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Nameethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C24H31FN2O5/c1-4-32-24(30)17-8-10-26(11-9-17)22(18-6-5-7-19(25)15-18)21-20(28)14-16(2)27(23(21)29)12-13-31-3/h5-7,14-15,17,22,28H,4,8-13H2,1-3H3
InChIKeyVNJUIKRVCXBGLC-UHFFFAOYSA-N
XLogP3.01
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-((4-ethylpiperazin-1-yl)(phenyl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703743
3-[(4-Ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703760
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 54675965
3-(4-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682158
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703741
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperazin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703742
4-hydroxy-3-((4-(2-hydroxyethyl)piperazin-1-yl)(phenyl)methyl)-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703745
3-[(4-Ethylpiperazin-1-YL)(3-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703763
3-[(4-Fluorophenyl)(4-methylpiperidin-1-YL)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 54703765
3-[(4-Ethylpiperazin-1-yl)-(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703766
4-Hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylphenyl)(piperidin-1-YL)methyl]-1,2-dihydropyridin-2-one
CID 54703768
Ethyl 1-{[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-YL](4-methylphenyl)methyl}piperidine-4-carboxylate
CID 54703769

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate (CID 54703762) is ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1.
What is the InChIKey of ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is VNJUIKRVCXBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O5/c1-4-32-24(30)17-8-10-26(11-9-17)22(18-6-5-7-19(25)15-18)21-20(28)14-16(2)27(23(21)29)12-13-31-3/h5-7,14-15,17,22,28H,4,8-13H2,1-3H3.
What are the key properties of ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate?
ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 446.52 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 54703762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).