(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide

C11H19N3O3 — CID 124954921

IUPAC(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C(C)C)[C@@H](C(N)=O)C1
InChIInChI=1S/C11H19N3O3/c1-7(2)11(17)14-5-4-13(8(3)15)6-9(14)10(12)16/h7,9H,4-6H2,1-3H3,(H2,12,16)/t9-/m1/s1
InChIKeyFFZKTZDWJKKGDF-SECBINFHSA-N
MW241.29 g/mol
LogP-0.81
Rot. Bonds2

About (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide

(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide (PubChem CID 124954921) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
PubChem CID124954921
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C(C)C)[C@@H](C(N)=O)C1
InChIInChI=1S/C11H19N3O3/c1-7(2)11(17)14-5-4-13(8(3)15)6-9(14)10(12)16/h7,9H,4-6H2,1-3H3,(H2,12,16)/t9-/m1/s1
InChIKeyFFZKTZDWJKKGDF-SECBINFHSA-N
XLogP-0.81
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-acetyl-2-carbamoylpiperazine-1-carboxylate
CID 164925312
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272
(2S)-1-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-2-amino-3-methylbutan-1-one
CID 96554988
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide
CID 89157748
4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide
CID 142388351
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165
2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115911
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
CID 124972311
1-acetyl-4-(4-methylbenzoyl)-1,4-diazepane-6-carboxamide
CID 110107413

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide (CID 124954921) is (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)C(C)C)[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The InChIKey is FFZKTZDWJKKGDF-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)11(17)14-5-4-13(8(3)15)6-9(14)10(12)16/h7,9H,4-6H2,1-3H3,(H2,12,16)/t9-/m1/s1.
What are the key properties of (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 124954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).