4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde

C12H23N3O2 — CID 108995940

IUPAC4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde
SMILESCCCCN(C)CC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-5-13(2)10-12(17)15-8-6-14(11-16)7-9-15/h11H,3-10H2,1-2H3
InChIKeyWTBWEOOKJHTQFK-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds6

About 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde

4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde (PubChem CID 108995940) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde
PubChem CID108995940
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde
SMILESCCCCN(C)CC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-5-13(2)10-12(17)15-8-6-14(11-16)7-9-15/h11H,3-10H2,1-2H3
InChIKeyWTBWEOOKJHTQFK-UHFFFAOYSA-N
XLogP0.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dipropionylpiperazine
CID 95171
Piperazine, 1,4-dibutyryl-
CID 205276
1-(4-Acetylpiperazin-1-yl)propan-1-one
CID 22956481
US10214537, Example 168
CID 117005151
1,4-Dipropylpiperazine-2,5-dione
CID 20186172
2-(Dimethylamino)-1-(4-propylpiperazin-1-yl)ethanone
CID 45826320
1,4-Dibutylpiperazine-2,5-dione
CID 19902955
2,3-Piperazinedione, 1,4-diethyl-
CID 20687048
N,N'-Diisobutyl-2,5-dioxopiperazin
CID 58851024
1-(4-Ethylpiperazin-1-yl)-1,2-propandione
CID 82125370
N1,N2-Dibutyl-N1,N2-dimethyloxalamide
CID 102306856
1,4-Diethylpiperazin-2-one
CID 581342

Frequently Asked Questions

What is the IUPAC name of 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde (CID 108995940) is 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde is CCCCN(C)CC(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde?
The InChIKey is WTBWEOOKJHTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-5-13(2)10-12(17)15-8-6-14(11-16)7-9-15/h11H,3-10H2,1-2H3.
What are the key properties of 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde?
4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108995940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).