2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide

C14H21N3O2 — CID 56724407

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCOCC1CCCN(CC(=O)Nc2cccnc2)C1
InChIInChI=1S/C14H21N3O2/c1-19-11-12-4-3-7-17(9-12)10-14(18)16-13-5-2-6-15-8-13/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,16,18)
InChIKeyXOZJRELXXWDROU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.38
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide

2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 56724407) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID56724407
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCOCC1CCCN(CC(=O)Nc2cccnc2)C1
InChIInChI=1S/C14H21N3O2/c1-19-11-12-4-3-7-17(9-12)10-14(18)16-13-5-2-6-15-8-13/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,16,18)
InChIKeyXOZJRELXXWDROU-UHFFFAOYSA-N
XLogP1.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide (CID 56724407) is 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide is COCC1CCCN(CC(=O)Nc2cccnc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is XOZJRELXXWDROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-11-12-4-3-7-17(9-12)10-14(18)16-13-5-2-6-15-8-13/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,16,18).
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide?
2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 56724407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).