4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde

C10H13N3O3 — CID 82344222

IUPAC4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde
SMILESNc1ccc(C(=O)N2CCN(C=O)CC2)o1
InChIInChI=1S/C10H13N3O3/c11-9-2-1-8(16-9)10(15)13-5-3-12(7-14)4-6-13/h1-2,7H,3-6,11H2
InChIKeyASGAQQPGRCMHEH-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.22
Rot. Bonds2

About 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde

4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde (PubChem CID 82344222) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde
PubChem CID82344222
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde
SMILESNc1ccc(C(=O)N2CCN(C=O)CC2)o1
InChIInChI=1S/C10H13N3O3/c11-9-2-1-8(16-9)10(15)13-5-3-12(7-14)4-6-13/h1-2,7H,3-6,11H2
InChIKeyASGAQQPGRCMHEH-UHFFFAOYSA-N
XLogP-0.22
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4,5-dimethylfuran-2-carbonyl)piperazine-1-carbaldehyde
CID 110697608
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208
4-(3-amino-4-bromobenzoyl)piperazine-1-carbaldehyde
CID 39451903
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
4-(6-oxopyran-3-carbonyl)piperazine-1-carbaldehyde
CID 110697449
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbaldehyde
CID 110387912
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde (CID 82344222) is 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde is Nc1ccc(C(=O)N2CCN(C=O)CC2)o1.
What is the InChIKey of 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is ASGAQQPGRCMHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-9-2-1-8(16-9)10(15)13-5-3-12(7-14)4-6-13/h1-2,7H,3-6,11H2.
What are the key properties of 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde?
4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 223.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 82344222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).