1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one

C18H25N3O3 — CID 138621618

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one
SMILESCC1CN(C2CCCN(CC3COc4ccccc4O3)C2)C(=O)N1
InChIInChI=1S/C18H25N3O3/c1-13-9-21(18(22)19-13)14-5-4-8-20(10-14)11-15-12-23-16-6-2-3-7-17(16)24-15/h2-3,6-7,13-15H,4-5,8-12H2,1H3,(H,19,22)
InChIKeyLPUSZMOUVMRWSP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one

1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one (PubChem CID 138621618) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one
PubChem CID138621618
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one
SMILESCC1CN(C2CCCN(CC3COc4ccccc4O3)C2)C(=O)N1
InChIInChI=1S/C18H25N3O3/c1-13-9-21(18(22)19-13)14-5-4-8-20(10-14)11-15-12-23-16-6-2-3-7-17(16)24-15/h2-3,6-7,13-15H,4-5,8-12H2,1H3,(H,19,22)
InChIKeyLPUSZMOUVMRWSP-UHFFFAOYSA-N
XLogP1.70
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one (CID 138621618) is 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one is CC1CN(C2CCCN(CC3COc4ccccc4O3)C2)C(=O)N1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one?
The InChIKey is LPUSZMOUVMRWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-9-21(18(22)19-13)14-5-4-8-20(10-14)11-15-12-23-16-6-2-3-7-17(16)24-15/h2-3,6-7,13-15H,4-5,8-12H2,1H3,(H,19,22).
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one?
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 138621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).