1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one

C14H25N3O2 — CID 66000667

IUPAC1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(CC2CCOCC2)CCN1C1CCNCC1
InChIInChI=1S/C14H25N3O2/c18-14-16(11-12-3-9-19-10-4-12)7-8-17(14)13-1-5-15-6-2-13/h12-13,15H,1-11H2
InChIKeyAGXMEYFUXIHJNL-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.90
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one

1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 66000667) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
PubChem CID66000667
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(CC2CCOCC2)CCN1C1CCNCC1
InChIInChI=1S/C14H25N3O2/c18-14-16(11-12-3-9-19-10-4-12)7-8-17(14)13-1-5-15-6-2-13/h12-13,15H,1-11H2
InChIKeyAGXMEYFUXIHJNL-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one (CID 66000667) is 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one is O=C1N(CC2CCOCC2)CCN1C1CCNCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is AGXMEYFUXIHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14-16(11-12-3-9-19-10-4-12)7-8-17(14)13-1-5-15-6-2-13/h12-13,15H,1-11H2.
What are the key properties of 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 66000667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).