4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one

C11H23N3O — CID 64682377

IUPAC4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)C(C)(C)C)CC1=O
InChIInChI=1S/C11H23N3O/c1-11(2,3)9(7-12)14-6-5-13(4)10(15)8-14/h9H,5-8,12H2,1-4H3
InChIKeyPOBGPUUPJXVZCY-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.13
Rot. Bonds2

About 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one

4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one (PubChem CID 64682377) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one
PubChem CID64682377
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)C(C)(C)C)CC1=O
InChIInChI=1S/C11H23N3O/c1-11(2,3)9(7-12)14-6-5-13(4)10(15)8-14/h9H,5-8,12H2,1-4H3
InChIKeyPOBGPUUPJXVZCY-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one (CID 64682377) is 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one is CN1CCN(C(CN)C(C)(C)C)CC1=O.
What is the InChIKey of 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one?
The InChIKey is POBGPUUPJXVZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)9(7-12)14-6-5-13(4)10(15)8-14/h9H,5-8,12H2,1-4H3.
What are the key properties of 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one?
4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64682377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).