piperazin-2-one;propane

C7H16N2O — CID 143025708

IUPACpiperazin-2-one;propane
SMILESCCC.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C3H8/c7-4-3-5-1-2-6-4;1-3-2/h5H,1-3H2,(H,6,7);3H2,1-2H3
InChIKeyQVZONLIRUGKGHM-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.12
Rot. Bonds

About piperazin-2-one;propane

piperazin-2-one;propane (PubChem CID 143025708) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is piperazin-2-one;propane.

Molecular Properties

Compound Namepiperazin-2-one;propane
PubChem CID143025708
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Namepiperazin-2-one;propane
SMILESCCC.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C3H8/c7-4-3-5-1-2-6-4;1-3-2/h5H,1-3H2,(H,6,7);3H2,1-2H3
InChIKeyQVZONLIRUGKGHM-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,4,7-triazacyclododecan-3-one
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1,4,8,11-tetrazacyclotetradecane-2,10-dione
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1,4-diazacyclotetradecan-2-one
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1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
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1,4,7,10-tetrazacyclotridecan-11-one
CID 12059274
ethane;imidazolidin-4-one
CID 144840604
4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one
CID 160725115
1,4-diazepan-6-one
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Frequently Asked Questions

What is the IUPAC name of piperazin-2-one;propane?
The IUPAC name of piperazin-2-one;propane (CID 143025708) is piperazin-2-one;propane.
What is the SMILES notation for piperazin-2-one;propane?
The canonical SMILES for piperazin-2-one;propane is CCC.O=C1CNCCN1.
What is the InChIKey of piperazin-2-one;propane?
The InChIKey is QVZONLIRUGKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C3H8/c7-4-3-5-1-2-6-4;1-3-2/h5H,1-3H2,(H,6,7);3H2,1-2H3.
What are the key properties of piperazin-2-one;propane?
piperazin-2-one;propane has a molecular weight of 144.22 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-one;propane is sourced from PubChem (CID 143025708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).