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

C20H25ClN2O2 — CID 92787308

IUPAC3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCCCC2)c1=O
InChIInChI=1S/C20H25ClN2O2/c1-3-23-14(2)13-17(24)18(20(23)25)19(22-11-7-4-8-12-22)15-9-5-6-10-16(15)21/h5-6,9-10,13,19,24H,3-4,7-8,11-12H2,1-2H3/t19-/m1/s1
InChIKeyRANKRSOALGEGRC-LJQANCHMSA-N
MW360.89 g/mol
LogP4.11
Rot. Bonds4

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

3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 92787308) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
PubChem CID92787308
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCCCC2)c1=O
InChIInChI=1S/C20H25ClN2O2/c1-3-23-14(2)13-17(24)18(20(23)25)19(22-11-7-4-8-12-22)15-9-5-6-10-16(15)21/h5-6,9-10,13,19,24H,3-4,7-8,11-12H2,1-2H3/t19-/m1/s1
InChIKeyRANKRSOALGEGRC-LJQANCHMSA-N
XLogP4.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 93478795
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 92787321
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
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
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 92762512
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
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739349
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364
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)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one (CID 92787308) is 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCCCC2)c1=O.
What is the InChIKey of 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is RANKRSOALGEGRC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-3-23-14(2)13-17(24)18(20(23)25)19(22-11-7-4-8-12-22)15-9-5-6-10-16(15)21/h5-6,9-10,13,19,24H,3-4,7-8,11-12H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 360.89 g/mol, XLogP of 4.11, 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)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 92787308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).