4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde

C15H22N4O4 — CID 109134481

IUPAC4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C2CC2C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H22N4O4/c20-10-16-1-5-18(6-2-16)14(22)12-9-13(12)15(23)19-7-3-17(11-21)4-8-19/h10-13H,1-9H2
InChIKeyNJMALPRCBKGJSO-UHFFFAOYSA-N
MW322.37 g/mol
LogP-1.78
Rot. Bonds4

About 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde

4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (PubChem CID 109134481) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
PubChem CID109134481
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C2CC2C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H22N4O4/c20-10-16-1-5-18(6-2-16)14(22)12-9-13(12)15(23)19-7-3-17(11-21)4-8-19/h10-13H,1-9H2
InChIKeyNJMALPRCBKGJSO-UHFFFAOYSA-N
XLogP-1.78
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134315
N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133637
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132908
N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
4-[2-(hydroxymethyl)cyclohexanecarbonyl]piperazine-1-carbaldehyde
CID 82120157
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134639
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134621

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (CID 109134481) is 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C2CC2C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The InChIKey is NJMALPRCBKGJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-10-16-1-5-18(6-2-16)14(22)12-9-13(12)15(23)19-7-3-17(11-21)4-8-19/h10-13H,1-9H2.
What are the key properties of 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde has a molecular weight of 322.37 g/mol, XLogP of -1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109134481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).