1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one

C14H21N3O2 — CID 22262657

IUPAC1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
SMILESCOc1nc(N)ccc1C(=O)CCC1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-19-14-11(3-5-13(15)17-14)12(18)4-2-10-6-8-16-9-7-10/h3,5,10,16H,2,4,6-9H2,1H3,(H2,15,17)
InChIKeyFYJUMLISSGREDO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds5

About 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one

1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one (PubChem CID 22262657) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
PubChem CID22262657
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
SMILESCOc1nc(N)ccc1C(=O)CCC1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-19-14-11(3-5-13(15)17-14)12(18)4-2-10-6-8-16-9-7-10/h3,5,10,16H,2,4,6-9H2,1H3,(H2,15,17)
InChIKeyFYJUMLISSGREDO-UHFFFAOYSA-N
XLogP1.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one (CID 22262657) is 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one is COc1nc(N)ccc1C(=O)CCC1CCNCC1.
What is the InChIKey of 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is FYJUMLISSGREDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14-11(3-5-13(15)17-14)12(18)4-2-10-6-8-16-9-7-10/h3,5,10,16H,2,4,6-9H2,1H3,(H2,15,17).
What are the key properties of 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one?
1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 22262657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).