3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C13H28ClN3O — CID 120980944

IUPAC3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)C(C)N(C)CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-11(2)12(3)15(4)8-5-13(17)16-9-6-14-7-10-16;/h11-12,14H,5-10H2,1-4H3;1H
InChIKeyURORPFSOKDKUIQ-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.21
Rot. Bonds5

About 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980944) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980944
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)C(C)N(C)CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-11(2)12(3)15(4)8-5-13(17)16-9-6-14-7-10-16;/h11-12,14H,5-10H2,1-4H3;1H
InChIKeyURORPFSOKDKUIQ-UHFFFAOYSA-N
XLogP1.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
3-[3-(4-chlorophenyl)butan-2-yl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982027
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980934
3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980681
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
3-[1-(2,4-dimethylphenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980796
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980944) is 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(C)C(C)N(C)CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is URORPFSOKDKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-11(2)12(3)15(4)8-5-13(17)16-9-6-14-7-10-16;/h11-12,14H,5-10H2,1-4H3;1H.
What are the key properties of 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).