5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one

C14H24N4O2 — CID 79959227

IUPAC5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1CC(=O)N1CCCCC1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-18-11(13(15)16-14(18)20)8-12(19)17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H2,15,16,20)
InChIKeyNFJRMNQUZQDULS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.21
Rot. Bonds4

About 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one

5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one (PubChem CID 79959227) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one
PubChem CID79959227
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1CC(=O)N1CCCCC1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-18-11(13(15)16-14(18)20)8-12(19)17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H2,15,16,20)
InChIKeyNFJRMNQUZQDULS-UHFFFAOYSA-N
XLogP1.21
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one (CID 79959227) is 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1CC(=O)N1CCCCC1.
What is the InChIKey of 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one?
The InChIKey is NFJRMNQUZQDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)9-18-11(13(15)16-14(18)20)8-12(19)17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H2,15,16,20).
What are the key properties of 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one?
5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one has a molecular weight of 280.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpropyl)-4-(2-oxo-2-piperidin-1-ylethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).