1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

C20H24N2O2 — CID 95821000

IUPAC1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2ccc(C[C@H]3CCCN(C(C)=O)C3)cn2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(23)22-11-3-4-17(14-22)12-16-5-10-20(21-13-16)18-6-8-19(24-2)9-7-18/h5-10,13,17H,3-4,11-12,14H2,1-2H3/t17-/m1/s1
InChIKeyOUUSEPMKEVSEFH-QGZVFWFLSA-N
MW324.42 g/mol
LogP3.56
Rot. Bonds4

About 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 95821000) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID95821000
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2ccc(C[C@H]3CCCN(C(C)=O)C3)cn2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(23)22-11-3-4-17(14-22)12-16-5-10-20(21-13-16)18-6-8-19(24-2)9-7-18/h5-10,13,17H,3-4,11-12,14H2,1-2H3/t17-/m1/s1
InChIKeyOUUSEPMKEVSEFH-QGZVFWFLSA-N
XLogP3.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124964101
4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124959685
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
3-[5-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124984055
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799
1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95486491

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 95821000) is 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is COc1ccc(-c2ccc(C[C@H]3CCCN(C(C)=O)C3)cn2)cc1.
What is the InChIKey of 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is OUUSEPMKEVSEFH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(23)22-11-3-4-17(14-22)12-16-5-10-20(21-13-16)18-6-8-19(24-2)9-7-18/h5-10,13,17H,3-4,11-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).