3-methyl-3-propylpiperazin-2-one

C8H16N2O — CID 54773632

IUPAC3-methyl-3-propylpiperazin-2-one
SMILESCCCC1(C)NCCNC1=O
InChIInChI=1S/C8H16N2O/c1-3-4-8(2)7(11)9-5-6-10-8/h10H,3-6H2,1-2H3,(H,9,11)
InChIKeyCAKPCPMHYREPAY-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.26
Rot. Bonds2

About 3-methyl-3-propylpiperazin-2-one

3-methyl-3-propylpiperazin-2-one (PubChem CID 54773632) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-methyl-3-propylpiperazin-2-one.

Molecular Properties

Compound Name3-methyl-3-propylpiperazin-2-one
PubChem CID54773632
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-methyl-3-propylpiperazin-2-one
SMILESCCCC1(C)NCCNC1=O
InChIInChI=1S/C8H16N2O/c1-3-4-8(2)7(11)9-5-6-10-8/h10H,3-6H2,1-2H3,(H,9,11)
InChIKeyCAKPCPMHYREPAY-UHFFFAOYSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylpiperazin-2-one?
The IUPAC name of 3-methyl-3-propylpiperazin-2-one (CID 54773632) is 3-methyl-3-propylpiperazin-2-one.
What is the SMILES notation for 3-methyl-3-propylpiperazin-2-one?
The canonical SMILES for 3-methyl-3-propylpiperazin-2-one is CCCC1(C)NCCNC1=O.
What is the InChIKey of 3-methyl-3-propylpiperazin-2-one?
The InChIKey is CAKPCPMHYREPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-8(2)7(11)9-5-6-10-8/h10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 3-methyl-3-propylpiperazin-2-one?
3-methyl-3-propylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylpiperazin-2-one is sourced from PubChem (CID 54773632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).