2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C26H29N3O2 — CID 95809139

IUPAC2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1
InChIInChI=1S/C26H29N3O2/c1-31-24-14-12-22(13-15-24)28-26(30)19-29-16-6-9-21(18-29)25-11-5-10-23(27-25)17-20-7-3-2-4-8-20/h2-5,7-8,10-15,21H,6,9,16-19H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyIXAYALDXOLNQFJ-OAQYLSRUSA-N
MW415.54 g/mol
LogP4.50
Rot. Bonds7

About 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 95809139) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID95809139
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1
InChIInChI=1S/C26H29N3O2/c1-31-24-14-12-22(13-15-24)28-26(30)19-29-16-6-9-21(18-29)25-11-5-10-23(27-25)17-20-7-3-2-4-8-20/h2-5,7-8,10-15,21H,6,9,16-19H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyIXAYALDXOLNQFJ-OAQYLSRUSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110249660
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9389196
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 95809139) is 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1.
What is the InChIKey of 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is IXAYALDXOLNQFJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-24-14-12-22(13-15-24)28-26(30)19-29-16-6-9-21(18-29)25-11-5-10-23(27-25)17-20-7-3-2-4-8-20/h2-5,7-8,10-15,21H,6,9,16-19H2,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 95809139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).