3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one

C15H31N3O — CID 61430295

IUPAC3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)NCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-14(2,3)16-8-7-13(19)17-9-11-18(12-10-17)15(4,5)6/h16H,7-12H2,1-6H3
InChIKeyJHZBUAXUEGQAGY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.71
Rot. Bonds3

About 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one

3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one (PubChem CID 61430295) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
PubChem CID61430295
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)NCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-14(2,3)16-8-7-13(19)17-9-11-18(12-10-17)15(4,5)6/h16H,7-12H2,1-6H3
InChIKeyJHZBUAXUEGQAGY-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689
3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 60849525
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
3-(tert-butylamino)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 60851640
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
CID 79191284
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
1-(4-tert-butylpiperazin-1-yl)-5-chloropentan-1-one
CID 61430483
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one (CID 61430295) is 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one is CC(C)(C)NCCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one?
The InChIKey is JHZBUAXUEGQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2,3)16-8-7-13(19)17-9-11-18(12-10-17)15(4,5)6/h16H,7-12H2,1-6H3.
What are the key properties of 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one?
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 61430295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).