3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one

C21H27ClN2O2 — CID 93478795

IUPAC3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCC(C)CC2)c1=O
InChIInChI=1S/C21H27ClN2O2/c1-4-24-15(3)13-18(25)19(21(24)26)20(16-7-5-6-8-17(16)22)23-11-9-14(2)10-12-23/h5-8,13-14,20,25H,4,9-12H2,1-3H3/t20-/m1/s1
InChIKeyFJUMTFRKWZVGMY-HXUWFJFHSA-N
MW374.91 g/mol
LogP4.36
Rot. Bonds4

About 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one

3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 93478795) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
PubChem CID93478795
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCC(C)CC2)c1=O
InChIInChI=1S/C21H27ClN2O2/c1-4-24-15(3)13-18(25)19(21(24)26)20(16-7-5-6-8-17(16)22)23-11-9-14(2)10-12-23/h5-8,13-14,20,25H,4,9-12H2,1-3H3/t20-/m1/s1
InChIKeyFJUMTFRKWZVGMY-HXUWFJFHSA-N
XLogP4.36
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54692533
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
CID 54703741
3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739531
3-[(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54692612
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
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]pyridin-2-one
CID 54720798
1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739349
3-[(S)-(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739382

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one (CID 93478795) is 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCC(C)CC2)c1=O.
What is the InChIKey of 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is FJUMTFRKWZVGMY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-4-24-15(3)13-18(25)19(21(24)26)20(16-7-5-6-8-17(16)22)23-11-9-14(2)10-12-23/h5-8,13-14,20,25H,4,9-12H2,1-3H3/t20-/m1/s1.
What are the key properties of 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 374.91 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 93478795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).