1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one

C21H44N6O2 — CID 157070257

IUPAC1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCNCC1=O
InChIInChI=1S/2C7H14N2O.C7H16N2/c1-6(2)9-4-3-8-7(10)5-9;1-6(2)9-4-3-8-5-7(9)10;1-7(2)9-5-3-8-4-6-9/h6H,3-5H2,1-2H3,(H,8,10);6,8H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyACIOMAPBXBJSJG-UHFFFAOYSA-N
MW412.62 g/mol
LogP-0.05
Rot. Bonds3

About 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one

1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one (PubChem CID 157070257) has the molecular formula C21H44N6O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one
PubChem CID157070257
Molecular FormulaC21H44N6O2
Molecular Weight412.62 g/mol
Exact Mass412.35
IUPAC Name1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCNCC1=O
InChIInChI=1S/2C7H14N2O.C7H16N2/c1-6(2)9-4-3-8-7(10)5-9;1-6(2)9-4-3-8-5-7(9)10;1-7(2)9-5-3-8-4-6-9/h6H,3-5H2,1-2H3,(H,8,10);6,8H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyACIOMAPBXBJSJG-UHFFFAOYSA-N
XLogP-0.05
TPSA79.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one with MolForge

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Related Compounds

4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
4-[1-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166631267
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
(+/-)-1,2-Di(dioxopiperazin-1-yl)propane
CID 23036702
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-propan-2-ylacetamide
CID 2394974
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-propan-2-ylacetamide
CID 8717218
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-propylacetamide
CID 8717232
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-methylacetamide
CID 18984447
N-(2-aminoethyl)-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
CID 20671763
N-methyl-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
CID 20676163
N-(2-aminoethyl)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)acetamide
CID 21340761

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one?
The IUPAC name of 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one (CID 157070257) is 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one?
The canonical SMILES for 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one is CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCNCC1=O.
What is the InChIKey of 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one?
The InChIKey is ACIOMAPBXBJSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2O.C7H16N2/c1-6(2)9-4-3-8-7(10)5-9;1-6(2)9-4-3-8-5-7(9)10;1-7(2)9-5-3-8-4-6-9/h6H,3-5H2,1-2H3,(H,8,10);6,8H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one?
1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one has a molecular weight of 412.62 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 157070257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).