1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione

C15H27N3O2 — CID 108942692

IUPAC1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
SMILESCCN1CCN(C(=O)CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-16-8-10-18(11-9-16)15(20)12-14(19)17-6-4-13(2)5-7-17/h13H,3-12H2,1-2H3
InChIKeyANVGAOLXQVHGKS-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.80
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione

1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione (PubChem CID 108942692) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
PubChem CID108942692
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
SMILESCCN1CCN(C(=O)CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-16-8-10-18(11-9-16)15(20)12-14(19)17-6-4-13(2)5-7-17/h13H,3-12H2,1-2H3
InChIKeyANVGAOLXQVHGKS-UHFFFAOYSA-N
XLogP0.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108942693
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione (CID 108942692) is 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione is CCN1CCN(C(=O)CC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
The InChIKey is ANVGAOLXQVHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-16-8-10-18(11-9-16)15(20)12-14(19)17-6-4-13(2)5-7-17/h13H,3-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione has a molecular weight of 281.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione is sourced from PubChem (CID 108942692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).