1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one

C17H34N4O2 — CID 156741763

IUPAC1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CN1CC(C)NC(C)C1.CC(=O)CN1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C8H16N2O/c1-7-4-11(6-9(3)12)5-8(2)10-7;1-8(11)7-10-5-3-9(2)4-6-10/h7-8,10H,4-6H2,1-3H3;3-7H2,1-2H3
InChIKeyVSQNIOXJVQUFQM-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.08
Rot. Bonds4

About 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one

1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 156741763) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one
PubChem CID156741763
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CN1CC(C)NC(C)C1.CC(=O)CN1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C8H16N2O/c1-7-4-11(6-9(3)12)5-8(2)10-7;1-8(11)7-10-5-3-9(2)4-6-10/h7-8,10H,4-6H2,1-3H3;3-7H2,1-2H3
InChIKeyVSQNIOXJVQUFQM-UHFFFAOYSA-N
XLogP0.08
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Piperazinylmethyl ketone
CID 20339403
4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione
CID 59840666
1-(3,5-Dimethylpiperazin-1-yl)propan-2-one
CID 59854564
1-(2-Methylpiperazin-1-yl)propan-2-one
CID 67114248
1-(2,6-Dimethylpiperazin-1-yl)propan-2-one
CID 67990028
1-[4-[2-(Propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one
CID 70875139
1-(3-Methylpiperazin-1-yl)propan-2-one
CID 84032640
1-[(2S)-2-methylpiperazin-1-yl]propan-2-one
CID 96333438
1-[(3R)-3-methylpiperazin-1-yl]propan-2-one
CID 117905110
1-(4-Piperazin-1-ylpiperidin-1-yl)propan-2-one
CID 135174693
2,4-Di(piperazin-1-yl)pentan-3-one
CID 141275752
4-(3-Piperazin-1-ylbutan-2-yl)piperazine-2,6-dione
CID 141382621

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one (CID 156741763) is 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one is CC(=O)CN1CC(C)NC(C)C1.CC(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one?
The InChIKey is VSQNIOXJVQUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C8H16N2O/c1-7-4-11(6-9(3)12)5-8(2)10-7;1-8(11)7-10-5-3-9(2)4-6-10/h7-8,10H,4-6H2,1-3H3;3-7H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one?
1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one has a molecular weight of 326.49 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 156741763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).