3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

C24H27FN2O3 — CID 54703795

IUPAC3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C24H27FN2O3/c1-16-8-10-26(11-9-16)23(18-5-3-6-19(25)14-18)22-21(28)13-17(2)27(24(22)29)15-20-7-4-12-30-20/h3-7,12-14,16,23,28H,8-11,15H2,1-2H3
InChIKeyRLSVKWBWUSRTCQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.46
Rot. Bonds5

About 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54703795) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54703795
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C24H27FN2O3/c1-16-8-10-26(11-9-16)23(18-5-3-6-19(25)14-18)22-21(28)13-17(2)27(24(22)29)15-20-7-4-12-30-20/h3-7,12-14,16,23,28H,8-11,15H2,1-2H3
InChIKeyRLSVKWBWUSRTCQ-UHFFFAOYSA-N
XLogP4.46
TPSA58.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 54703795) is 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c(C(c2cccc(F)c2)N2CCC(C)CC2)c(=O)n1Cc1ccco1.
What is the InChIKey of 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is RLSVKWBWUSRTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-16-8-10-26(11-9-16)23(18-5-3-6-19(25)14-18)22-21(28)13-17(2)27(24(22)29)15-20-7-4-12-30-20/h3-7,12-14,16,23,28H,8-11,15H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 410.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54703795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).