5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one

C9H14N4O — CID 66118968

IUPAC5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one
SMILESCn1cncc1C1NC(=O)CCC1N
InChIInChI=1S/C9H14N4O/c1-13-5-11-4-7(13)9-6(10)2-3-8(14)12-9/h4-6,9H,2-3,10H2,1H3,(H,12,14)
InChIKeyNILKBDIQFMKWLE-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds1

About 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one

5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one (PubChem CID 66118968) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one
PubChem CID66118968
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one
SMILESCn1cncc1C1NC(=O)CCC1N
InChIInChI=1S/C9H14N4O/c1-13-5-11-4-7(13)9-6(10)2-3-8(14)12-9/h4-6,9H,2-3,10H2,1H3,(H,12,14)
InChIKeyNILKBDIQFMKWLE-UHFFFAOYSA-N
XLogP-0.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one?
The IUPAC name of 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one (CID 66118968) is 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one is Cn1cncc1C1NC(=O)CCC1N.
What is the InChIKey of 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one?
The InChIKey is NILKBDIQFMKWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-5-11-4-7(13)9-6(10)2-3-8(14)12-9/h4-6,9H,2-3,10H2,1H3,(H,12,14).
What are the key properties of 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one?
5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one is sourced from PubChem (CID 66118968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).