2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide

C13H20N4O3 — CID 77012011

IUPAC2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(C(=O)CCc2ccco2)CC1)=NO
InChIInChI=1S/C13H20N4O3/c14-12(15-19)10-16-5-7-17(8-6-16)13(18)4-3-11-2-1-9-20-11/h1-2,9,19H,3-8,10H2,(H2,14,15)
InChIKeySCVMDWIBYQRGBM-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.10
Rot. Bonds5

About 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77012011) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77012011
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCN(C(=O)CCc2ccco2)CC1)=NO
InChIInChI=1S/C13H20N4O3/c14-12(15-19)10-16-5-7-17(8-6-16)13(18)4-3-11-2-1-9-20-11/h1-2,9,19H,3-8,10H2,(H2,14,15)
InChIKeySCVMDWIBYQRGBM-UHFFFAOYSA-N
XLogP0.10
TPSA95.30 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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78788998
1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 10693347
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041818
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 154738961
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 32538724
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 63340908
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77012011) is 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide is NC(CN1CCN(C(=O)CCc2ccco2)CC1)=NO.
What is the InChIKey of 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is SCVMDWIBYQRGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-12(15-19)10-16-5-7-17(8-6-16)13(18)4-3-11-2-1-9-20-11/h1-2,9,19H,3-8,10H2,(H2,14,15).
What are the key properties of 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 280.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77012011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).