5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one

C9H13N3O2 — CID 138467694

IUPAC5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one
SMILESCc1cn(C2CCC(=O)NC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-5-12(9(14)11-6)7-2-3-8(13)10-4-7/h5,7H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyCBKPXNPHVAJBFW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.06
Rot. Bonds1

About 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one

5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one (PubChem CID 138467694) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one
PubChem CID138467694
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one
SMILESCc1cn(C2CCC(=O)NC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-5-12(9(14)11-6)7-2-3-8(13)10-4-7/h5,7H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyCBKPXNPHVAJBFW-UHFFFAOYSA-N
XLogP-0.06
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one?
The IUPAC name of 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one (CID 138467694) is 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one.
What is the SMILES notation for 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one?
The canonical SMILES for 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one is Cc1cn(C2CCC(=O)NC2)c(=O)[nH]1.
What is the InChIKey of 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one?
The InChIKey is CBKPXNPHVAJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-5-12(9(14)11-6)7-2-3-8(13)10-4-7/h5,7H,2-4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one?
5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-2-one is sourced from PubChem (CID 138467694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).