3-propan-2-ylpiperazin-2-one

C7H14N2O — CID 44890815

IUPAC3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1NCCNC1=O
InChIInChI=1S/C7H14N2O/c1-5(2)6-7(10)9-4-3-8-6/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyCMYZSPVNMZJMRZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.27
Rot. Bonds1

About 3-propan-2-ylpiperazin-2-one

3-propan-2-ylpiperazin-2-one (PubChem CID 44890815) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3-propan-2-ylpiperazin-2-one
PubChem CID44890815
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1NCCNC1=O
InChIInChI=1S/C7H14N2O/c1-5(2)6-7(10)9-4-3-8-6/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyCMYZSPVNMZJMRZ-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
Alanine anhydride, trans-(A+-)-
CID 676438

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpiperazin-2-one?
The IUPAC name of 3-propan-2-ylpiperazin-2-one (CID 44890815) is 3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 3-propan-2-ylpiperazin-2-one is CC(C)C1NCCNC1=O.
What is the InChIKey of 3-propan-2-ylpiperazin-2-one?
The InChIKey is CMYZSPVNMZJMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)6-7(10)9-4-3-8-6/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-ylpiperazin-2-one?
3-propan-2-ylpiperazin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 44890815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).