2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one

C13H21N3O2 — CID 82063949

IUPAC2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OCCN2CCCCC2)c[nH]1
InChIInChI=1S/C13H21N3O2/c14-9-11-8-12(17)13(10-15-11)18-7-6-16-4-2-1-3-5-16/h8,10H,1-7,9,14H2,(H,15,17)
InChIKeyRKTGRIITQPFGIW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.70
Rot. Bonds5

About 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one

2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 82063949) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID82063949
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OCCN2CCCCC2)c[nH]1
InChIInChI=1S/C13H21N3O2/c14-9-11-8-12(17)13(10-15-11)18-7-6-16-4-2-1-3-5-16/h8,10H,1-7,9,14H2,(H,15,17)
InChIKeyRKTGRIITQPFGIW-UHFFFAOYSA-N
XLogP0.70
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one (CID 82063949) is 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one is NCc1cc(=O)c(OCCN2CCCCC2)c[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is RKTGRIITQPFGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-9-11-8-12(17)13(10-15-11)18-7-6-16-4-2-1-3-5-16/h8,10H,1-7,9,14H2,(H,15,17).
What are the key properties of 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82063949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).