N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide

C16H19N3O3 — CID 8549120

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCNC(=O)C1)c1cc2ccccc2o1
InChIInChI=1S/C16H19N3O3/c1-11(14-8-12-4-2-3-5-13(12)22-14)18-16(21)10-19-7-6-17-15(20)9-19/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,20)(H,18,21)/t11-/m1/s1
InChIKeyHBEMJJSOSIBHEY-LLVKDONJSA-N
MW301.35 g/mol
LogP1.04
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8549120) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8549120
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCNC(=O)C1)c1cc2ccccc2o1
InChIInChI=1S/C16H19N3O3/c1-11(14-8-12-4-2-3-5-13(12)22-14)18-16(21)10-19-7-6-17-15(20)9-19/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,20)(H,18,21)/t11-/m1/s1
InChIKeyHBEMJJSOSIBHEY-LLVKDONJSA-N
XLogP1.04
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[1-(1-benzofuran-2-yl)ethyl]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetamide
CID 86774712
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962709
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8786735
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597854
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 46637117
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8549120) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is C[C@@H](NC(=O)CN1CCNC(=O)C1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is HBEMJJSOSIBHEY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(14-8-12-4-2-3-5-13(12)22-14)18-16(21)10-19-7-6-17-15(20)9-19/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,20)(H,18,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8549120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).