1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

C24H31N3O2 — CID 95818430

IUPAC1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(Cc2cccc([C@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1
InChIInChI=1S/C24H31N3O2/c1-18(28)26-14-11-21(12-15-26)27-13-5-10-24(27)23-9-4-7-20(25-23)16-19-6-3-8-22(17-19)29-2/h3-4,6-9,17,21,24H,5,10-16H2,1-2H3/t24-/m1/s1
InChIKeyIJNCOYDFXKVQTM-XMMPIXPASA-N
MW393.53 g/mol
LogP3.83
Rot. Bonds5

About 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95818430) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID95818430
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(Cc2cccc([C@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1
InChIInChI=1S/C24H31N3O2/c1-18(28)26-14-11-21(12-15-26)27-13-5-10-24(27)23-9-4-7-20(25-23)16-19-6-3-8-22(17-19)29-2/h3-4,6-9,17,21,24H,5,10-16H2,1-2H3/t24-/m1/s1
InChIKeyIJNCOYDFXKVQTM-XMMPIXPASA-N
XLogP3.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
2-[(3-methoxyphenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818489
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95818210
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810808
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124964524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 95818430) is 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is COc1cccc(Cc2cccc([C@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1.
What is the InChIKey of 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is IJNCOYDFXKVQTM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(28)26-14-11-21(12-15-26)27-13-5-10-24(27)23-9-4-7-20(25-23)16-19-6-3-8-22(17-19)29-2/h3-4,6-9,17,21,24H,5,10-16H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 393.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95818430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).