2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)

C30H58N4O3 — CID 159054728

IUPAC2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)
SMILESCC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCCCC1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.2C10H19NO/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;2*1-10(2,3)9(12)11-7-5-4-6-8-11/h5-8H2,1-4H3;2*4-8H2,1-3H3
InChIKeyJXSDRXIOOBLLSC-UHFFFAOYSA-N
MW522.82 g/mol
LogP4.90
Rot. Bonds

About 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one) (PubChem CID 159054728) has the molecular formula C30H58N4O3 and a molecular weight of 522.82 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one).

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)
PubChem CID159054728
Molecular FormulaC30H58N4O3
Molecular Weight522.82 g/mol
Exact Mass522.45
IUPAC Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)
SMILESCC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCCCC1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.2C10H19NO/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;2*1-10(2,3)9(12)11-7-5-4-6-8-11/h5-8H2,1-4H3;2*4-8H2,1-3H3
InChIKeyJXSDRXIOOBLLSC-UHFFFAOYSA-N
XLogP4.90
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.82
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one) with MolForge

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Related Compounds

Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylene))bis(1-methyl-, diiodide
CID 121176
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylidene))bis(1-methyl-, diiodide
CID 121528
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylene))bis(1-ethyl, dibromide
CID 199463
Piperidinium, 1-methyl-1-(3-(4-((1-methylpiperidinio)acetyl)-1-piperazinyl)-3-oxopropyl)-, diiodide
CID 56843918
2-Piperidin-1-yl-1-[4-(2-piperidin-1-yl-acetyl)-piperazin-1-yl]-ethanone
CID 265942
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
3-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[3-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121177
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529
3-(1-Ethylpiperidin-1-ium-1-yl)-1-[4-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199464
3-Piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
2-Piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 24842222
3-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 56843919

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)?
The IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one) (CID 159054728) is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one).
What is the SMILES notation for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)?
The canonical SMILES for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one) is CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCCCC1.CN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)?
The InChIKey is JXSDRXIOOBLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2C10H19NO/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;2*1-10(2,3)9(12)11-7-5-4-6-8-11/h5-8H2,1-4H3;2*4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one)?
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one) has a molecular weight of 522.82 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2,2-dimethyl-1-piperidin-1-ylpropan-1-one) is sourced from PubChem (CID 159054728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).