5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde

C10H12N2O3 — CID 63595457

IUPAC5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
SMILESCC1C(=O)NCCN1c1ccc(C=O)o1
InChIInChI=1S/C10H12N2O3/c1-7-10(14)11-4-5-12(7)9-3-2-8(6-13)15-9/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChIKeyJYGZKVXTKYHQCS-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.42
Rot. Bonds2

About 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde

5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde (PubChem CID 63595457) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
PubChem CID63595457
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
SMILESCC1C(=O)NCCN1c1ccc(C=O)o1
InChIInChI=1S/C10H12N2O3/c1-7-10(14)11-4-5-12(7)9-3-2-8(6-13)15-9/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChIKeyJYGZKVXTKYHQCS-UHFFFAOYSA-N
XLogP0.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.42
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

1-(2-Furoyl)piperazine
CID 550206
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
5-(Dimethylamino)furan-2-carbaldehyde
CID 802276
5-Diethylamino-Furan-2-Carbaldehyde
CID 768638
1-(2-Furoyl)piperazine Hydrochloride
CID 12289910
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
CID 2221968
N-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2982164

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde (CID 63595457) is 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde is CC1C(=O)NCCN1c1ccc(C=O)o1.
What is the InChIKey of 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
The InChIKey is JYGZKVXTKYHQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-10(14)11-4-5-12(7)9-3-2-8(6-13)15-9/h2-3,6-7H,4-5H2,1H3,(H,11,14).
What are the key properties of 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde has a molecular weight of 208.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 63595457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).