4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one

C11H15N3O2 — CID 53417881

IUPAC4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one
SMILESCOc1nc(C2CCNC(=O)C2)ccc1N
InChIInChI=1S/C11H15N3O2/c1-16-11-8(12)2-3-9(14-11)7-4-5-13-10(15)6-7/h2-3,7H,4-6,12H2,1H3,(H,13,15)
InChIKeyHQQFGFSFBQYJJX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.67
Rot. Bonds2

About 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one

4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one (PubChem CID 53417881) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one.

Molecular Properties

Compound Name4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one
PubChem CID53417881
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one
SMILESCOc1nc(C2CCNC(=O)C2)ccc1N
InChIInChI=1S/C11H15N3O2/c1-16-11-8(12)2-3-9(14-11)7-4-5-13-10(15)6-7/h2-3,7H,4-6,12H2,1H3,(H,13,15)
InChIKeyHQQFGFSFBQYJJX-UHFFFAOYSA-N
XLogP0.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one?
The IUPAC name of 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one (CID 53417881) is 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one.
What is the SMILES notation for 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one?
The canonical SMILES for 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one is COc1nc(C2CCNC(=O)C2)ccc1N.
What is the InChIKey of 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one?
The InChIKey is HQQFGFSFBQYJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-8(12)2-3-9(14-11)7-4-5-13-10(15)6-7/h2-3,7H,4-6,12H2,1H3,(H,13,15).
What are the key properties of 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one?
4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one is sourced from PubChem (CID 53417881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).