3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one

C12H23N3O — CID 83244074

IUPAC3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C12H23N3O/c1-3-4-11-12(16)15(9-13-11)10-5-7-14(2)8-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyGRMLITBNVMQFKS-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.64
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one

3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one (PubChem CID 83244074) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one
PubChem CID83244074
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C12H23N3O/c1-3-4-11-12(16)15(9-13-11)10-5-7-14(2)8-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyGRMLITBNVMQFKS-UHFFFAOYSA-N
XLogP0.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one (CID 83244074) is 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one is CCCC1NCN(C2CCN(C)CC2)C1=O.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one?
The InChIKey is GRMLITBNVMQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-11-12(16)15(9-13-11)10-5-7-14(2)8-6-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one?
3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one has a molecular weight of 225.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83244074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).