1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione

C15H18N2O3 — CID 64968946

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CC2Cc3ccccc3O2)C1=O
InChIInChI=1S/C15H18N2O3/c1-15(2)14(19)17(9-13(18)16-15)8-11-7-10-5-3-4-6-12(10)20-11/h3-6,11H,7-9H2,1-2H3,(H,16,18)
InChIKeyGJJZIITUKYYOST-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.73
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64968946) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64968946
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CC2Cc3ccccc3O2)C1=O
InChIInChI=1S/C15H18N2O3/c1-15(2)14(19)17(9-13(18)16-15)8-11-7-10-5-3-4-6-12(10)20-11/h3-6,11H,7-9H2,1-2H3,(H,16,18)
InChIKeyGJJZIITUKYYOST-UHFFFAOYSA-N
XLogP0.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
CID 66391953
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878650
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
CID 66363787

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione (CID 64968946) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)CN(CC2Cc3ccccc3O2)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is GJJZIITUKYYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)14(19)17(9-13(18)16-15)8-11-7-10-5-3-4-6-12(10)20-11/h3-6,11H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64968946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).