1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one

C23H26N2O3 — CID 54703776

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
SMILESCc1cc(O)c(C(c2ccccc2)N2CCCCC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C23H26N2O3/c1-17-15-20(26)21(23(27)25(17)16-19-11-8-14-28-19)22(18-9-4-2-5-10-18)24-12-6-3-7-13-24/h2,4-5,8-11,14-15,22,26H,3,6-7,12-13,16H2,1H3
InChIKeyUPVZCAYDQHCRKE-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.08
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one

1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one (PubChem CID 54703776) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
PubChem CID54703776
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
SMILESCc1cc(O)c(C(c2ccccc2)N2CCCCC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C23H26N2O3/c1-17-15-20(26)21(23(27)25(17)16-19-11-8-14-28-19)22(18-9-4-2-5-10-18)24-12-6-3-7-13-24/h2,4-5,8-11,14-15,22,26H,3,6-7,12-13,16H2,1H3
InChIKeyUPVZCAYDQHCRKE-UHFFFAOYSA-N
XLogP4.08
TPSA58.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one (CID 54703776) is 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one is Cc1cc(O)c(C(c2ccccc2)N2CCCCC2)c(=O)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
The InChIKey is UPVZCAYDQHCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-15-20(26)21(23(27)25(17)16-19-11-8-14-28-19)22(18-9-4-2-5-10-18)24-12-6-3-7-13-24/h2,4-5,8-11,14-15,22,26H,3,6-7,12-13,16H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one?
1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one has a molecular weight of 378.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54703776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).