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

C16H26N4O3 — CID 109134315

IUPAC4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESCCN1CCN(C(=O)C2CC2C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H26N4O3/c1-2-17-3-7-19(8-4-17)15(22)13-11-14(13)16(23)20-9-5-18(12-21)6-10-20/h12-14H,2-11H2,1H3
InChIKeyZXYYEAIXMFYVSE-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.91
Rot. Bonds4

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

4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (PubChem CID 109134315) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
PubChem CID109134315
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESCCN1CCN(C(=O)C2CC2C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H26N4O3/c1-2-17-3-7-19(8-4-17)15(22)13-11-14(13)16(23)20-9-5-18(12-21)6-10-20/h12-14H,2-11H2,1H3
InChIKeyZXYYEAIXMFYVSE-UHFFFAOYSA-N
XLogP-0.91
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.91
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-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134481
(4-ethylpiperazin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133273
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134365
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132908
N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133637
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
N-benzyl-2-(4-ethylpiperazine-1-carbonyl)-N-methylcyclopropane-1-carboxamide
CID 109134323
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133636
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (CID 109134315) is 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is CCN1CCN(C(=O)C2CC2C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The InChIKey is ZXYYEAIXMFYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-2-17-3-7-19(8-4-17)15(22)13-11-14(13)16(23)20-9-5-18(12-21)6-10-20/h12-14H,2-11H2,1H3.
What are the key properties of 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde has a molecular weight of 322.41 g/mol, XLogP of -0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109134315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).