3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

C25H30N2O5 — CID 54703807

IUPAC3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1OC
InChIInChI=1S/C25H30N2O5/c1-17-14-20(28)23(25(29)27(17)16-19-8-7-13-32-19)24(26-11-5-4-6-12-26)18-9-10-21(30-2)22(15-18)31-3/h7-10,13-15,24,28H,4-6,11-12,16H2,1-3H3
InChIKeyMQZBGDMDRWHZJC-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.10
Rot. Bonds7

About 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54703807) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54703807
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1OC
InChIInChI=1S/C25H30N2O5/c1-17-14-20(28)23(25(29)27(17)16-19-8-7-13-32-19)24(26-11-5-4-6-12-26)18-9-10-21(30-2)22(15-18)31-3/h7-10,13-15,24,28H,4-6,11-12,16H2,1-3H3
InChIKeyMQZBGDMDRWHZJC-UHFFFAOYSA-N
XLogP4.10
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 54703807) is 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is COc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is MQZBGDMDRWHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-17-14-20(28)23(25(29)27(17)16-19-8-7-13-32-19)24(26-11-5-4-6-12-26)18-9-10-21(30-2)22(15-18)31-3/h7-10,13-15,24,28H,4-6,11-12,16H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 438.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54703807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).