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

C23H25ClN2O3 — CID 92526430

IUPAC3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C23H25ClN2O3/c1-16-14-20(27)21(23(28)26(16)15-19-6-5-13-29-19)22(25-11-3-2-4-12-25)17-7-9-18(24)10-8-17/h5-10,13-14,22,27H,2-4,11-12,15H2,1H3/t22-/m1/s1
InChIKeyLFKLDTOBFVWQBH-JOCHJYFZSA-N
MW412.92 g/mol
LogP4.73
Rot. Bonds5

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

3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 92526430) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID92526430
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C23H25ClN2O3/c1-16-14-20(27)21(23(28)26(16)15-19-6-5-13-29-19)22(25-11-3-2-4-12-25)17-7-9-18(24)10-8-17/h5-10,13-14,22,27H,2-4,11-12,15H2,1H3/t22-/m1/s1
InChIKeyLFKLDTOBFVWQBH-JOCHJYFZSA-N
XLogP4.73
TPSA58.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526442
3-[[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54692755
3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739812
3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739813
ethyl 4-[[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylsulfanylphenyl)methyl]piperazine-1-carboxylate
CID 54692758
1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692764
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
ethyl 4-[(S)-[1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 54739748
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766008

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 92526430) is 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)n1Cc1ccco1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is LFKLDTOBFVWQBH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-14-20(27)21(23(28)26(16)15-19-6-5-13-29-19)22(25-11-3-2-4-12-25)17-7-9-18(24)10-8-17/h5-10,13-14,22,27H,2-4,11-12,15H2,1H3/t22-/m1/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 412.92 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 92526430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).