5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one

C10H16N4O — CID 64655747

IUPAC5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cnc[nH]2)CCC1=O
InChIInChI=1S/C10H16N4O/c1-14-6-8(2-3-10(14)15)12-5-9-4-11-7-13-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyMUQRENRKIAZKTE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.12
Rot. Bonds3

About 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one

5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one (PubChem CID 64655747) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
PubChem CID64655747
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cnc[nH]2)CCC1=O
InChIInChI=1S/C10H16N4O/c1-14-6-8(2-3-10(14)15)12-5-9-4-11-7-13-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyMUQRENRKIAZKTE-UHFFFAOYSA-N
XLogP0.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one (CID 64655747) is 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one is CN1CC(NCc2cnc[nH]2)CCC1=O.
What is the InChIKey of 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one?
The InChIKey is MUQRENRKIAZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-6-8(2-3-10(14)15)12-5-9-4-11-7-13-9/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13).
What are the key properties of 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one?
5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64655747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).