1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one

C21H28N2O2 — CID 93478801

IUPAC1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCCCC2)c1=O
InChIInChI=1S/C21H28N2O2/c1-4-23-16(3)14-18(24)19(21(23)25)20(22-12-6-5-7-13-22)17-10-8-15(2)9-11-17/h8-11,14,20,24H,4-7,12-13H2,1-3H3/t20-/m1/s1
InChIKeyWLVRGIXULOYCSQ-HXUWFJFHSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds4

About 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one

1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one (PubChem CID 93478801) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
PubChem CID93478801
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCCCC2)c1=O
InChIInChI=1S/C21H28N2O2/c1-4-23-16(3)14-18(24)19(21(23)25)20(22-12-6-5-7-13-22)17-10-8-15(2)9-11-17/h8-11,14,20,24H,4-7,12-13H2,1-3H3/t20-/m1/s1
InChIKeyWLVRGIXULOYCSQ-HXUWFJFHSA-N
XLogP3.77
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one with MolForge

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Related Compounds

1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 54729189
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 92787321
3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 92713438
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364
ethyl 4-[(S)-(4-chlorophenyl)-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 54739380
4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one
CID 92766029
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
CID 54729067
1-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one (CID 93478801) is 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
The InChIKey is WLVRGIXULOYCSQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-23-16(3)14-18(24)19(21(23)25)20(22-12-6-5-7-13-22)17-10-8-15(2)9-11-17/h8-11,14,20,24H,4-7,12-13H2,1-3H3/t20-/m1/s1.
What are the key properties of 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one?
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one is sourced from PubChem (CID 93478801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).