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

C14H22N4O3 — CID 77012798

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C14H22N4O3/c1-2-3-12(13(15)16-20)17-5-7-18(8-6-17)14(19)11-4-9-21-10-11/h4,9-10,12,20H,2-3,5-8H2,1H3,(H2,15,16)
InChIKeyQNSVIKKDXXVYBD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.95
Rot. Bonds5

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

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 77012798) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide
PubChem CID77012798
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C14H22N4O3/c1-2-3-12(13(15)16-20)17-5-7-18(8-6-17)14(19)11-4-9-21-10-11/h4,9-10,12,20H,2-3,5-8H2,1H3,(H2,15,16)
InChIKeyQNSVIKKDXXVYBD-UHFFFAOYSA-N
XLogP0.95
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.95
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'-hydroxypentanimidamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide (CID 77012798) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide is CCCC(C(N)=NO)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is QNSVIKKDXXVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-3-12(13(15)16-20)17-5-7-18(8-6-17)14(19)11-4-9-21-10-11/h4,9-10,12,20H,2-3,5-8H2,1H3,(H2,15,16).
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 294.35 g/mol, XLogP of 0.95, 5 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'-hydroxypentanimidamide is sourced from PubChem (CID 77012798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).