1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone

C13H27N3O — CID 59289508

IUPAC1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCN(C)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-12(2)14(4)6-5-7-15-8-10-16(11-9-15)13(3)17/h12H,5-11H2,1-4H3
InChIKeyGPVNNBDOVJHEPQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.88
Rot. Bonds5

About 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone

1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone (PubChem CID 59289508) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
PubChem CID59289508
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCN(C)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-12(2)14(4)6-5-7-15-8-10-16(11-9-15)13(3)17/h12H,5-11H2,1-4H3
InChIKeyGPVNNBDOVJHEPQ-UHFFFAOYSA-N
XLogP0.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
CID 171070832
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 169268423
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
4-acetyl-N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]piperazine-1-carboximidamide;hydroiodide
CID 110963956
4-(4-acetylpiperazin-1-yl)butanoyl chloride
CID 39255372
N-methyl-4-[2-[methyl-[(1R)-1-sulfanylethyl]amino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 174092933
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone (CID 59289508) is 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCN(C)C(C)C)CC1.
What is the InChIKey of 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone?
The InChIKey is GPVNNBDOVJHEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2)14(4)6-5-7-15-8-10-16(11-9-15)13(3)17/h12H,5-11H2,1-4H3.
What are the key properties of 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone?
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone has a molecular weight of 241.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59289508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).