1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one

C12H21N3O3 — CID 174555807

IUPAC1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(CC2OCCO2)CCN1C1CCNCC1
InChIInChI=1S/C12H21N3O3/c16-12-14(9-11-17-7-8-18-11)5-6-15(12)10-1-3-13-4-2-10/h10-11,13H,1-9H2
InChIKeyNZMDJFFMLRIPTI-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.15
Rot. Bonds3

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

1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 174555807) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
PubChem CID174555807
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(CC2OCCO2)CCN1C1CCNCC1
InChIInChI=1S/C12H21N3O3/c16-12-14(9-11-17-7-8-18-11)5-6-15(12)10-1-3-13-4-2-10/h10-11,13H,1-9H2
InChIKeyNZMDJFFMLRIPTI-UHFFFAOYSA-N
XLogP-0.15
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one (CID 174555807) is 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one is O=C1N(CC2OCCO2)CCN1C1CCNCC1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is NZMDJFFMLRIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-12-14(9-11-17-7-8-18-11)5-6-15(12)10-1-3-13-4-2-10/h10-11,13H,1-9H2.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 174555807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).