N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide

C15H19N3O3 — CID 62233747

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(NCC1Cc2ccccc2O1)C(=O)N1CCNCC1
InChIInChI=1S/C15H19N3O3/c19-14(15(20)18-7-5-16-6-8-18)17-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,12,16H,5-10H2,(H,17,19)
InChIKeyXSYPLADDIXCZQY-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.46
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 62233747) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID62233747
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(NCC1Cc2ccccc2O1)C(=O)N1CCNCC1
InChIInChI=1S/C15H19N3O3/c19-14(15(20)18-7-5-16-6-8-18)17-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,12,16H,5-10H2,(H,17,19)
InChIKeyXSYPLADDIXCZQY-UHFFFAOYSA-N
XLogP-0.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiomorpholine-4-carboxamide
CID 94115982
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
CID 61252197
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95132254
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide (CID 62233747) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide is O=C(NCC1Cc2ccccc2O1)C(=O)N1CCNCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is XSYPLADDIXCZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(15(20)18-7-5-16-6-8-18)17-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,12,16H,5-10H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 289.33 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 62233747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).