1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone

C20H24N2O2 — CID 95809601

IUPAC1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C20H24N2O2/c1-24-15-20(23)22-12-6-9-17(14-22)19-11-5-10-18(21-19)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-15H2,1H3/t17-/m0/s1
InChIKeyMCSJHJXROWNHPG-KRWDZBQOSA-N
MW324.42 g/mol
LogP3.02
Rot. Bonds5

About 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone

1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 95809601) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
PubChem CID95809601
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C20H24N2O2/c1-24-15-20(23)22-12-6-9-17(14-22)19-11-5-10-18(21-19)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-15H2,1H3/t17-/m0/s1
InChIKeyMCSJHJXROWNHPG-KRWDZBQOSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 110249542
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810462
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 95809139

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone (CID 95809601) is 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1.
What is the InChIKey of 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is MCSJHJXROWNHPG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-15-20(23)22-12-6-9-17(14-22)19-11-5-10-18(21-19)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 324.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95809601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).