4-methyl-3-propan-2-ylpiperazin-2-one

C8H16N2O — CID 86775174

IUPAC4-methyl-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C
InChIInChI=1S/C8H16N2O/c1-6(2)7-8(11)9-4-5-10(7)3/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyQTDZMVOGEWICAZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.07
Rot. Bonds1

About 4-methyl-3-propan-2-ylpiperazin-2-one

4-methyl-3-propan-2-ylpiperazin-2-one (PubChem CID 86775174) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methyl-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-methyl-3-propan-2-ylpiperazin-2-one
PubChem CID86775174
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-methyl-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C
InChIInChI=1S/C8H16N2O/c1-6(2)7-8(11)9-4-5-10(7)3/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyQTDZMVOGEWICAZ-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-methyl-3-propan-2-ylpiperazin-2-one (CID 86775174) is 4-methyl-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-methyl-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-methyl-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)NCCN1C.
What is the InChIKey of 4-methyl-3-propan-2-ylpiperazin-2-one?
The InChIKey is QTDZMVOGEWICAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)7-8(11)9-4-5-10(7)3/h6-7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 4-methyl-3-propan-2-ylpiperazin-2-one?
4-methyl-3-propan-2-ylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 86775174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).