4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde

C14H24N4O3 — CID 108944496

IUPAC4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
SMILESCCN1CCN(C(=O)CC(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H24N4O3/c1-2-15-3-7-17(8-4-15)13(20)11-14(21)18-9-5-16(12-19)6-10-18/h12H,2-11H2,1H3
InChIKeyPHUJRVURPMKVFY-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.16
Rot. Bonds4

About 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde

4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde (PubChem CID 108944496) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
PubChem CID108944496
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
SMILESCCN1CCN(C(=O)CC(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H24N4O3/c1-2-15-3-7-17(8-4-15)13(20)11-14(21)18-9-5-16(12-19)6-10-18/h12H,2-11H2,1H3
InChIKeyPHUJRVURPMKVFY-UHFFFAOYSA-N
XLogP-1.16
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.16
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

1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134315
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108942693
1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942692
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
methyl N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112991841
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
N-(4-ethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944755
1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944570
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944693

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde (CID 108944496) is 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde is CCN1CCN(C(=O)CC(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The InChIKey is PHUJRVURPMKVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-15-3-7-17(8-4-15)13(20)11-14(21)18-9-5-16(12-19)6-10-18/h12H,2-11H2,1H3.
What are the key properties of 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde has a molecular weight of 296.37 g/mol, XLogP of -1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).