4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde

C9H14N2O3 — CID 141433309

IUPAC4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C9H14N2O3/c12-7-10-3-5-11(6-4-10)8(13)9(14)1-2-9/h7,14H,1-6H2
InChIKeySWDMKOKIEAPWEB-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.19
Rot. Bonds2

About 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde

4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde (PubChem CID 141433309) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
PubChem CID141433309
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C9H14N2O3/c12-7-10-3-5-11(6-4-10)8(13)9(14)1-2-9/h7,14H,1-6H2
InChIKeySWDMKOKIEAPWEB-UHFFFAOYSA-N
XLogP-1.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde (CID 141433309) is 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde?
The InChIKey is SWDMKOKIEAPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-7-10-3-5-11(6-4-10)8(13)9(14)1-2-9/h7,14H,1-6H2.
What are the key properties of 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde?
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 141433309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).