4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde

C11H19N3O2 — CID 110850171

IUPAC4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
SMILESCN1CCCC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H19N3O2/c1-12-4-2-3-10(12)11(16)14-7-5-13(9-15)6-8-14/h9-10H,2-8H2,1H3
InChIKeyICDIMPKCQDSFDE-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.62
Rot. Bonds2

About 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde

4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110850171) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
PubChem CID110850171
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
SMILESCN1CCCC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H19N3O2/c1-12-4-2-3-10(12)11(16)14-7-5-13(9-15)6-8-14/h9-10H,2-8H2,1H3
InChIKeyICDIMPKCQDSFDE-UHFFFAOYSA-N
XLogP-0.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
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-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde (CID 110850171) is 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde is CN1CCCC1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is ICDIMPKCQDSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12-4-2-3-10(12)11(16)14-7-5-13(9-15)6-8-14/h9-10H,2-8H2,1H3.
What are the key properties of 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde?
4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).