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

C25H30N2O4 — CID 54703804

IUPAC3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1
InChIInChI=1S/C25H30N2O4/c1-3-30-20-11-9-19(10-12-20)24(26-13-5-4-6-14-26)23-22(28)16-18(2)27(25(23)29)17-21-8-7-15-31-21/h7-12,15-16,24,28H,3-6,13-14,17H2,1-2H3
InChIKeySKBOWHGJCLLDQF-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.48
Rot. Bonds7

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

3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54703804) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54703804
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1
InChIInChI=1S/C25H30N2O4/c1-3-30-20-11-9-19(10-12-20)24(26-13-5-4-6-14-26)23-22(28)16-18(2)27(25(23)29)17-21-8-7-15-31-21/h7-12,15-16,24,28H,3-6,13-14,17H2,1-2H3
InChIKeySKBOWHGJCLLDQF-UHFFFAOYSA-N
XLogP4.48
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one with MolForge

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Related Compounds

(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
N-[1-(Furan-2-carbonyl)-4-(4-methoxy-phenyl)-piperidin-4-yl]-acetamide
CID 652969
2-[(R)-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-(furan-2-yl)methyl]prop-2-enamide
CID 168284013
2-(2-Furylmethyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 2826345
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(2-methoxyphenyl)ethan-1-one
CID 6470283
4-({3-(2-Hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]-1-piperazinyl}methyl)phenol
CID 16187707
N-[2-(furan-2-yl)-2-(morpholin-4-yl)ethyl]-4-methylbenzamide
CID 16453204
3-(4-fluorobenzyl)-1-(2-furylmethyl)-4-hydroxy-2(1H)-pyridinone
CID 54696633
N-[1-[(Furan-2-ylmethyl)-carbamoyl]-2-(4-methoxy-phenyl)-vinyl]-benzamide
CID 1100481
4-(furan-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 2910339
3-Acetyl-2-(2-furyl)-4-hydroxy-5-oxo-1-benzyl-3-pyrroline
CID 653772
2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 4878012

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 54703804) is 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is CCOc1ccc(C(c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is SKBOWHGJCLLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-30-20-11-9-19(10-12-20)24(26-13-5-4-6-14-26)23-22(28)16-18(2)27(25(23)29)17-21-8-7-15-31-21/h7-12,15-16,24,28H,3-6,13-14,17H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 422.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54703804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).