2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide

C13H20N4O3 — CID 60939107

IUPAC2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C13H20N4O3/c14-8-12(18)15-9-13(19)17-5-3-16(4-6-17)10-11-2-1-7-20-11/h1-2,7H,3-6,8-10,14H2,(H,15,18)
InChIKeyFYAIBLSZZSKIJG-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.00
Rot. Bonds5

About 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 60939107) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID60939107
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C13H20N4O3/c14-8-12(18)15-9-13(19)17-5-3-16(4-6-17)10-11-2-1-7-20-11/h1-2,7H,3-6,8-10,14H2,(H,15,18)
InChIKeyFYAIBLSZZSKIJG-UHFFFAOYSA-N
XLogP-1.00
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 19527848
2-(3-amino-1,2,4-triazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 61113519
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 60939107) is 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is FYAIBLSZZSKIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-8-12(18)15-9-13(19)17-5-3-16(4-6-17)10-11-2-1-7-20-11/h1-2,7H,3-6,8-10,14H2,(H,15,18).
What are the key properties of 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 60939107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).