1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one

C18H25N3O3 — CID 138622091

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one
SMILESCC1CNC(=O)N1C1CCCN(CC2COc3ccccc3O2)C1
InChIInChI=1S/C18H25N3O3/c1-13-9-19-18(22)21(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)
InChIKeyCOQSLVGZWNDCBU-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one

1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one (PubChem CID 138622091) 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]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one
PubChem CID138622091
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one
SMILESCC1CNC(=O)N1C1CCCN(CC2COc3ccccc3O2)C1
InChIInChI=1S/C18H25N3O3/c1-13-9-19-18(22)21(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)
InChIKeyCOQSLVGZWNDCBU-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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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylpyrrolidin-2-one
CID 138621844
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4-methylimidazolidin-2-one
CID 138621618
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621557
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1-methylimidazolidine-2,4-dione
CID 138621671
(3aS,7aR)-2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 138621604
5-tert-butyl-3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidin-2-one
CID 138621472
3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-1H-benzimidazol-2-one
CID 138621431
1-cyclopentyl-3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 138621440
1-(cyclopropylmethyl)-3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 138621401
(3R)-1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3-methyl-3-phenylpyrrolidin-2-one
CID 138621454
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1-propan-2-ylimidazolidine-2,4-dione
CID 138621446

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one (CID 138622091) is 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one is CC1CNC(=O)N1C1CCCN(CC2COc3ccccc3O2)C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-methylimidazolidin-2-one?
The InChIKey is COQSLVGZWNDCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-9-19-18(22)21(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]-5-methylimidazolidin-2-one?
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-5-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]-5-methylimidazolidin-2-one is sourced from PubChem (CID 138622091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).