1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one

C19H27N3O3 — CID 138621631

IUPAC1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1C
InChIInChI=1S/C19H27N3O3/c1-14-10-22(19(23)20(14)2)15-6-5-9-21(11-15)12-16-13-24-17-7-3-4-8-18(17)25-16/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3/t14?,15-,16-/m0/s1
InChIKeyRZVVKVUNXGAGIY-YVZMLIKISA-N
MW345.44 g/mol
LogP2.05
Rot. Bonds3

About 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one

1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one (PubChem CID 138621631) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one
PubChem CID138621631
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1C
InChIInChI=1S/C19H27N3O3/c1-14-10-22(19(23)20(14)2)15-6-5-9-21(11-15)12-16-13-24-17-7-3-4-8-18(17)25-16/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3/t14?,15-,16-/m0/s1
InChIKeyRZVVKVUNXGAGIY-YVZMLIKISA-N
XLogP2.05
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one with MolForge

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Related Compounds

Piperoxan
CID 6040
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one
CID 138621353
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 138621362
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 138621471
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 138621509
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3-(oxan-4-yl)imidazolidine-2,4,5-trione
CID 138621518
2-[3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-2-oxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 138621533
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 138621544
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3-ethylimidazolidine-2,4,5-trione
CID 138621546
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4-phenylimidazolidin-2-one
CID 138621575
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 138621689

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one (CID 138621631) is 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one is CC1CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1C.
What is the InChIKey of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one?
The InChIKey is RZVVKVUNXGAGIY-YVZMLIKISA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-10-22(19(23)20(14)2)15-6-5-9-21(11-15)12-16-13-24-17-7-3-4-8-18(17)25-16/h3-4,7-8,14-16H,5-6,9-13H2,1-2H3/t14?,15-,16-/m0/s1.
What are the key properties of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one?
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 138621631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).