2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C14H21N3O2 — CID 56871589

IUPAC2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C14H21N3O2/c1-15-9-14(18)17-8-4-6-13(10-17)19-11-12-5-2-3-7-16-12/h2-3,5,7,13,15H,4,6,8-11H2,1H3
InChIKeyCFXMNOGJHZLCEP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds5

About 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 56871589) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID56871589
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C14H21N3O2/c1-15-9-14(18)17-8-4-6-13(10-17)19-11-12-5-2-3-7-16-12/h2-3,5,7,13,15H,4,6,8-11H2,1H3
InChIKeyCFXMNOGJHZLCEP-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 56871589) is 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is CNCC(=O)N1CCCC(OCc2ccccn2)C1.
What is the InChIKey of 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is CFXMNOGJHZLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-9-14(18)17-8-4-6-13(10-17)19-11-12-5-2-3-7-16-12/h2-3,5,7,13,15H,4,6,8-11H2,1H3.
What are the key properties of 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 56871589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).