1-methyl-3-piperidin-4-ylimidazolidin-2-one

C9H17N3O — CID 23463798

IUPAC1-methyl-3-piperidin-4-ylimidazolidin-2-one
SMILESCN1CCN(C2CCNCC2)C1=O
InChIInChI=1S/C9H17N3O/c1-11-6-7-12(9(11)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3
InChIKeyDWFGEKHJKFNGNW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds1

About 1-methyl-3-piperidin-4-ylimidazolidin-2-one

1-methyl-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 23463798) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-piperidin-4-ylimidazolidin-2-one
PubChem CID23463798
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-methyl-3-piperidin-4-ylimidazolidin-2-one
SMILESCN1CCN(C2CCNCC2)C1=O
InChIInChI=1S/C9H17N3O/c1-11-6-7-12(9(11)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3
InChIKeyDWFGEKHJKFNGNW-UHFFFAOYSA-N
XLogP0.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-methyl-3-piperidin-4-ylimidazolidin-2-one (CID 23463798) is 1-methyl-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-methyl-3-piperidin-4-ylimidazolidin-2-one is CN1CCN(C2CCNCC2)C1=O.
What is the InChIKey of 1-methyl-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is DWFGEKHJKFNGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-6-7-12(9(11)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-methyl-3-piperidin-4-ylimidazolidin-2-one?
1-methyl-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 23463798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).