4-methyl-3,3-di(propan-2-yl)piperazin-2-one

C11H22N2O — CID 171408807

IUPAC4-methyl-3,3-di(propan-2-yl)piperazin-2-one
SMILESCC(C)C1(C(C)C)C(=O)NCCN1C
InChIInChI=1S/C11H22N2O/c1-8(2)11(9(3)4)10(14)12-6-7-13(11)5/h8-9H,6-7H2,1-5H3,(H,12,14)
InChIKeyFRQBTPRDCMTVPH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.10
Rot. Bonds2

About 4-methyl-3,3-di(propan-2-yl)piperazin-2-one

4-methyl-3,3-di(propan-2-yl)piperazin-2-one (PubChem CID 171408807) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-3,3-di(propan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-methyl-3,3-di(propan-2-yl)piperazin-2-one
PubChem CID171408807
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methyl-3,3-di(propan-2-yl)piperazin-2-one
SMILESCC(C)C1(C(C)C)C(=O)NCCN1C
InChIInChI=1S/C11H22N2O/c1-8(2)11(9(3)4)10(14)12-6-7-13(11)5/h8-9H,6-7H2,1-5H3,(H,12,14)
InChIKeyFRQBTPRDCMTVPH-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3-di(propan-2-yl)piperazin-2-one?
The IUPAC name of 4-methyl-3,3-di(propan-2-yl)piperazin-2-one (CID 171408807) is 4-methyl-3,3-di(propan-2-yl)piperazin-2-one.
What is the SMILES notation for 4-methyl-3,3-di(propan-2-yl)piperazin-2-one?
The canonical SMILES for 4-methyl-3,3-di(propan-2-yl)piperazin-2-one is CC(C)C1(C(C)C)C(=O)NCCN1C.
What is the InChIKey of 4-methyl-3,3-di(propan-2-yl)piperazin-2-one?
The InChIKey is FRQBTPRDCMTVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)11(9(3)4)10(14)12-6-7-13(11)5/h8-9H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 4-methyl-3,3-di(propan-2-yl)piperazin-2-one?
4-methyl-3,3-di(propan-2-yl)piperazin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3-di(propan-2-yl)piperazin-2-one is sourced from PubChem (CID 171408807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).