1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one

C11H16N4O — CID 82509276

IUPAC1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)c1cncnc1
InChIInChI=1S/C11H16N4O/c1-9(10-6-13-8-14-7-10)11(16)15-4-2-12-3-5-15/h6-9,12H,2-5H2,1H3
InChIKeyWNIILXBOBDPVEQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.01
Rot. Bonds2

About 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one

1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one (PubChem CID 82509276) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
PubChem CID82509276
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)c1cncnc1
InChIInChI=1S/C11H16N4O/c1-9(10-6-13-8-14-7-10)11(16)15-4-2-12-3-5-15/h6-9,12H,2-5H2,1H3
InChIKeyWNIILXBOBDPVEQ-UHFFFAOYSA-N
XLogP0.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 22104667
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
CID 154975976
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
2-(1-methylpyrazol-4-yl)-1-piperazin-1-ylbutan-1-one
CID 82510773
1-(1,4-diazepan-1-yl)-2-methyl-3-pyridin-3-ylpropan-1-one
CID 82086571

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one (CID 82509276) is 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one is CC(C(=O)N1CCNCC1)c1cncnc1.
What is the InChIKey of 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one?
The InChIKey is WNIILXBOBDPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(10-6-13-8-14-7-10)11(16)15-4-2-12-3-5-15/h6-9,12H,2-5H2,1H3.
What are the key properties of 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one?
1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one has a molecular weight of 220.28 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 82509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).