2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C12H18N4O3 — CID 77012471

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C12H18N4O3/c1-9(11(13)14-18)15-3-5-16(6-4-15)12(17)10-2-7-19-8-10/h2,7-9,18H,3-6H2,1H3,(H2,13,14)
InChIKeyIIEXQEMFHXDRTO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.17
Rot. Bonds3

About 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 77012471) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID77012471
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C12H18N4O3/c1-9(11(13)14-18)15-3-5-16(6-4-15)12(17)10-2-7-19-8-10/h2,7-9,18H,3-6H2,1H3,(H2,13,14)
InChIKeyIIEXQEMFHXDRTO-UHFFFAOYSA-N
XLogP0.17
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 77012471) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is IIEXQEMFHXDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(11(13)14-18)15-3-5-16(6-4-15)12(17)10-2-7-19-8-10/h2,7-9,18H,3-6H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 266.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77012471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).