3-(dipropylamino)-1-piperazin-1-ylpropan-1-one

C13H27N3O — CID 39255849

IUPAC3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
SMILESCCCN(CCC)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H27N3O/c1-3-8-15(9-4-2)10-5-13(17)16-11-6-14-7-12-16/h14H,3-12H2,1-2H3
InChIKeyGROVTQTYJDLAQB-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds7

About 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one

3-(dipropylamino)-1-piperazin-1-ylpropan-1-one (PubChem CID 39255849) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
PubChem CID39255849
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
SMILESCCCN(CCC)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H27N3O/c1-3-8-15(9-4-2)10-5-13(17)16-11-6-14-7-12-16/h14H,3-12H2,1-2H3
InChIKeyGROVTQTYJDLAQB-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085623
N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride
CID 120981664
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
CID 39286712
3-[(1,1-dioxothiolan-3-yl)-propylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980404
2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 120980373
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980416
1-(1,4-diazepan-1-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010945
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one (CID 39255849) is 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one is CCCN(CCC)CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one?
The InChIKey is GROVTQTYJDLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-8-15(9-4-2)10-5-13(17)16-11-6-14-7-12-16/h14H,3-12H2,1-2H3.
What are the key properties of 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one?
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39255849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).