2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone

C25H33N3O2 — CID 110249322

IUPAC2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cccc(Cc2cccc(C3CCCN(CC(=O)N4CCCCC4)C3)n2)c1
InChIInChI=1S/C25H33N3O2/c1-30-23-11-5-8-20(17-23)16-22-10-6-12-24(26-22)21-9-7-13-27(18-21)19-25(29)28-14-3-2-4-15-28/h5-6,8,10-12,17,21H,2-4,7,9,13-16,18-19H2,1H3
InChIKeyYQAGFDZYXIYSPA-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.87
Rot. Bonds6

About 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone

2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 110249322) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID110249322
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cccc(Cc2cccc(C3CCCN(CC(=O)N4CCCCC4)C3)n2)c1
InChIInChI=1S/C25H33N3O2/c1-30-23-11-5-8-20(17-23)16-22-10-6-12-24(26-22)21-9-7-13-27(18-21)19-25(29)28-14-3-2-4-15-28/h5-6,8,10-12,17,21H,2-4,7,9,13-16,18-19H2,1H3
InChIKeyYQAGFDZYXIYSPA-UHFFFAOYSA-N
XLogP3.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 95809139
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone (CID 110249322) is 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone is COc1cccc(Cc2cccc(C3CCCN(CC(=O)N4CCCCC4)C3)n2)c1.
What is the InChIKey of 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YQAGFDZYXIYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-23-11-5-8-20(17-23)16-22-10-6-12-24(26-22)21-9-7-13-27(18-21)19-25(29)28-14-3-2-4-15-28/h5-6,8,10-12,17,21H,2-4,7,9,13-16,18-19H2,1H3.
What are the key properties of 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 407.56 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 110249322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).