5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one

C11H15N3O2 — CID 63661949

IUPAC5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one
SMILESCOc1cccc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H15N3O2/c1-16-11-4-2-3-9(14-11)13-8-5-6-10(15)12-7-8/h2-4,8H,5-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyMABGBVNUUJLPMS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.78
Rot. Bonds3

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

5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one (PubChem CID 63661949) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one
PubChem CID63661949
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one
SMILESCOc1cccc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H15N3O2/c1-16-11-4-2-3-9(14-11)13-8-5-6-10(15)12-7-8/h2-4,8H,5-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyMABGBVNUUJLPMS-UHFFFAOYSA-N
XLogP0.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one?
The IUPAC name of 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one (CID 63661949) is 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one is COc1cccc(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one?
The InChIKey is MABGBVNUUJLPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-4-2-3-9(14-11)13-8-5-6-10(15)12-7-8/h2-4,8H,5-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one?
5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 63661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).