N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C12H25N3O — CID 82713214

IUPACN-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C12H25N3O/c1-5-12(3,4)14-11(16)9-15-7-6-13-8-10(15)2/h10,13H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyIWYPUAODTZTDGT-JTQLQIEISA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82713214) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82713214
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C12H25N3O/c1-5-12(3,4)14-11(16)9-15-7-6-13-8-10(15)2/h10,13H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyIWYPUAODTZTDGT-JTQLQIEISA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82713214) is N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is CCC(C)(C)NC(=O)CN1CCNC[C@@H]1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is IWYPUAODTZTDGT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-12(3,4)14-11(16)9-15-7-6-13-8-10(15)2/h10,13H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82713214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).