4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde

C16H24N4O4 — CID 108974246

IUPAC4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESCC(=O)N1CCN(C(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)CC1
InChIInChI=1S/C16H24N4O4/c1-13(22)18-8-10-20(11-9-18)15(24)16(2-3-16)14(23)19-6-4-17(12-21)5-7-19/h12H,2-11H2,1H3
InChIKeyZPVZVNSBQHUWCS-UHFFFAOYSA-N
MW336.39 g/mol
LogP-1.24
Rot. Bonds3

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

4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (PubChem CID 108974246) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
PubChem CID108974246
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
SMILESCC(=O)N1CCN(C(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)CC1
InChIInChI=1S/C16H24N4O4/c1-13(22)18-8-10-20(11-9-18)15(24)16(2-3-16)14(23)19-6-4-17(12-21)5-7-19/h12H,2-11H2,1H3
InChIKeyZPVZVNSBQHUWCS-UHFFFAOYSA-N
XLogP-1.24
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970408
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
CID 141433309
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108974308
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108974325
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
N-tert-butyl-4-formylpiperazine-1-carboxamide
CID 4995630
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
(E)-4-(4-formylpiperazin-1-yl)-4-oxobut-2-enoic acid
CID 6087836

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde (CID 108974246) is 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is CC(=O)N1CCN(C(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)CC1.
What is the InChIKey of 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
The InChIKey is ZPVZVNSBQHUWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-13(22)18-8-10-20(11-9-18)15(24)16(2-3-16)14(23)19-6-4-17(12-21)5-7-19/h12H,2-11H2,1H3.
What are the key properties of 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde?
4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde has a molecular weight of 336.39 g/mol, XLogP of -1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108974246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).