3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one

C10H17N3O — CID 103125850

IUPAC3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one
SMILESCC1CC(n2cc[nH]c2=O)CCN1C
InChIInChI=1S/C10H17N3O/c1-8-7-9(3-5-12(8)2)13-6-4-11-10(13)14/h4,6,8-9H,3,5,7H2,1-2H3,(H,11,14)
InChIKeyYWSDQTHIVZKFDN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.83
Rot. Bonds1

About 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one

3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one (PubChem CID 103125850) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one
PubChem CID103125850
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one
SMILESCC1CC(n2cc[nH]c2=O)CCN1C
InChIInChI=1S/C10H17N3O/c1-8-7-9(3-5-12(8)2)13-6-4-11-10(13)14/h4,6,8-9H,3,5,7H2,1-2H3,(H,11,14)
InChIKeyYWSDQTHIVZKFDN-UHFFFAOYSA-N
XLogP0.83
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one (CID 103125850) is 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one is CC1CC(n2cc[nH]c2=O)CCN1C.
What is the InChIKey of 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
The InChIKey is YWSDQTHIVZKFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-7-9(3-5-12(8)2)13-6-4-11-10(13)14/h4,6,8-9H,3,5,7H2,1-2H3,(H,11,14).
What are the key properties of 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103125850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).