6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione

C16H18N2O3 — CID 79220386

IUPAC6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(CC2COc3ccccc32)C1C1CC1
InChIInChI=1S/C16H18N2O3/c19-14-7-17-16(20)15(10-5-6-10)18(14)8-11-9-21-13-4-2-1-3-12(11)13/h1-4,10-11,15H,5-9H2,(H,17,20)
InChIKeyCDLXDQLVRVRAKN-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.90
Rot. Bonds3

About 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione

6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione (PubChem CID 79220386) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione
PubChem CID79220386
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(CC2COc3ccccc32)C1C1CC1
InChIInChI=1S/C16H18N2O3/c19-14-7-17-16(20)15(10-5-6-10)18(14)8-11-9-21-13-4-2-1-3-12(11)13/h1-4,10-11,15H,5-9H2,(H,17,20)
InChIKeyCDLXDQLVRVRAKN-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 79220379
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 79218362
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
(4aS,7aS)-6-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682874
6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64878730
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
CID 81197467
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 116625117
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
CID 79230311

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione (CID 79220386) is 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione is O=C1NCC(=O)N(CC2COc3ccccc32)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is CDLXDQLVRVRAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-7-17-16(20)15(10-5-6-10)18(14)8-11-9-21-13-4-2-1-3-12(11)13/h1-4,10-11,15H,5-9H2,(H,17,20).
What are the key properties of 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione?
6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 286.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 79220386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).