3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

C12H24N4O — CID 82511431

IUPAC3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESNC1CCCN(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c13-11-2-1-6-15(10-11)7-3-12(17)16-8-4-14-5-9-16/h11,14H,1-10,13H2
InChIKeyXDIUPLFURXRKNU-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.77
Rot. Bonds3

About 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82511431) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82511431
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESNC1CCCN(CCC(=O)N2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c13-11-2-1-6-15(10-11)7-3-12(17)16-8-4-14-5-9-16/h11,14H,1-10,13H2
InChIKeyXDIUPLFURXRKNU-UHFFFAOYSA-N
XLogP-0.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580
N-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-3-yl]propanamide
CID 120981335
1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511505
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-piperazin-1-ylpropan-1-one
CID 79932789
3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707
[(3R)-3-aminopiperidin-1-yl]-piperazin-1-ylmethanone
CID 124908113
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 82511431) is 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is NC1CCCN(CCC(=O)N2CCNCC2)C1.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is XDIUPLFURXRKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c13-11-2-1-6-15(10-11)7-3-12(17)16-8-4-14-5-9-16/h11,14H,1-10,13H2.
What are the key properties of 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82511431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).