4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one

C11H21N3O2 — CID 64682222

IUPAC4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CCC(C)(C)N)CC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,12)5-4-9(15)14-7-6-13(3)10(16)8-14/h4-8,12H2,1-3H3
InChIKeyUBTFGAUXVMTXIZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.20
Rot. Bonds3

About 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one

4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one (PubChem CID 64682222) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
PubChem CID64682222
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CCC(C)(C)N)CC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,12)5-4-9(15)14-7-6-13(3)10(16)8-14/h4-8,12H2,1-3H3
InChIKeyUBTFGAUXVMTXIZ-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one (CID 64682222) is 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)CCC(C)(C)N)CC1=O.
What is the InChIKey of 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one?
The InChIKey is UBTFGAUXVMTXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,12)5-4-9(15)14-7-6-13(3)10(16)8-14/h4-8,12H2,1-3H3.
What are the key properties of 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one?
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64682222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).