1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone

C19H22N2O — CID 95825074

IUPAC1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2ccc(-c3ccccc3C)cn2)C1
InChIInChI=1S/C19H22N2O/c1-14-6-3-4-8-18(14)16-9-10-19(20-12-16)17-7-5-11-21(13-17)15(2)22/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3/t17-/m1/s1
InChIKeyZEXWQNDYYIIELB-QGZVFWFLSA-N
MW294.40 g/mol
LogP3.78
Rot. Bonds2

About 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone

1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95825074) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95825074
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2ccc(-c3ccccc3C)cn2)C1
InChIInChI=1S/C19H22N2O/c1-14-6-3-4-8-18(14)16-9-10-19(20-12-16)17-7-5-11-21(13-17)15(2)22/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3/t17-/m1/s1
InChIKeyZEXWQNDYYIIELB-QGZVFWFLSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124959024
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-pyridinyl]benzoic acid
CID 124967509
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-methylpyrimidin-4-yl]benzoic acid
CID 125006923
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110254201
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95825074) is 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2ccc(-c3ccccc3C)cn2)C1.
What is the InChIKey of 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is ZEXWQNDYYIIELB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-6-3-4-8-18(14)16-9-10-19(20-12-16)17-7-5-11-21(13-17)15(2)22/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).