N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide

C11H22N4O2 — CID 112738250

IUPACN-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
SMILESCCC(C)(NC(=O)C1CNC(C)CN1)C(N)=O
InChIInChI=1S/C11H22N4O2/c1-4-11(3,10(12)17)15-9(16)8-6-13-7(2)5-14-8/h7-8,13-14H,4-6H2,1-3H3,(H2,12,17)(H,15,16)
InChIKeyFWRQXIMPOPTSES-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.29
Rot. Bonds4

About N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide

N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide (PubChem CID 112738250) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
PubChem CID112738250
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
SMILESCCC(C)(NC(=O)C1CNC(C)CN1)C(N)=O
InChIInChI=1S/C11H22N4O2/c1-4-11(3,10(12)17)15-9(16)8-6-13-7(2)5-14-8/h7-8,13-14H,4-6H2,1-3H3,(H2,12,17)(H,15,16)
InChIKeyFWRQXIMPOPTSES-UHFFFAOYSA-N
XLogP-1.29
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564
5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide
CID 114130979
N-(3-ethylpentan-2-yl)-5-methylpiperazine-2-carboxamide
CID 63837288
5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide
CID 63104022
N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
N-(3-cyclopentylpropyl)-5-methylpiperazine-2-carboxamide
CID 114137524
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
CID 102698384
N-(3-methylpentan-3-yl)piperazine-2-carboxamide
CID 106329297
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide (CID 112738250) is N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide is CCC(C)(NC(=O)C1CNC(C)CN1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide?
The InChIKey is FWRQXIMPOPTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-4-11(3,10(12)17)15-9(16)8-6-13-7(2)5-14-8/h7-8,13-14H,4-6H2,1-3H3,(H2,12,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide?
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 112738250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).