1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one

C13H23N3O — CID 80581049

IUPAC1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC2CCCNC2)c1=O
InChIInChI=1S/C13H23N3O/c1-2-7-15-9-10-16(13(15)17)8-5-12-4-3-6-14-11-12/h9-10,12,14H,2-8,11H2,1H3
InChIKeyKMXKKXUXTFYYKS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds5

About 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one

1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one (PubChem CID 80581049) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one
PubChem CID80581049
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC2CCCNC2)c1=O
InChIInChI=1S/C13H23N3O/c1-2-7-15-9-10-16(13(15)17)8-5-12-4-3-6-14-11-12/h9-10,12,14H,2-8,11H2,1H3
InChIKeyKMXKKXUXTFYYKS-UHFFFAOYSA-N
XLogP1.45
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one (CID 80581049) is 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one is CCCn1ccn(CCC2CCCNC2)c1=O.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one?
The InChIKey is KMXKKXUXTFYYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-7-15-9-10-16(13(15)17)8-5-12-4-3-6-14-11-12/h9-10,12,14H,2-8,11H2,1H3.
What are the key properties of 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one?
1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylethyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80581049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).