1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone

C19H22N2O2 — CID 95846969

IUPAC1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2ccc([C@@H]3CCCN(C(C)=O)C3)nc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14(22)21-11-3-4-17(13-21)19-10-7-16(12-20-19)15-5-8-18(23-2)9-6-15/h5-10,12,17H,3-4,11,13H2,1-2H3/t17-/m1/s1
InChIKeyRPLPOXHMZXGURT-QGZVFWFLSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds3

About 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone

1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95846969) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95846969
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2ccc([C@@H]3CCCN(C(C)=O)C3)nc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14(22)21-11-3-4-17(13-21)19-10-7-16(12-20-19)15-5-8-18(23-2)9-6-15/h5-10,12,17H,3-4,11,13H2,1-2H3/t17-/m1/s1
InChIKeyRPLPOXHMZXGURT-QGZVFWFLSA-N
XLogP3.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825074
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110263839
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124959024
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
CID 51867849
1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95821000
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
1-[(3S)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95806534

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95846969) is 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone is COc1ccc(-c2ccc([C@@H]3CCCN(C(C)=O)C3)nc2)cc1.
What is the InChIKey of 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is RPLPOXHMZXGURT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(22)21-11-3-4-17(13-21)19-10-7-16(12-20-19)15-5-8-18(23-2)9-6-15/h5-10,12,17H,3-4,11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95846969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).