N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide

C10H20N4O2 — CID 106096831

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CNCCN1
InChIInChI=1S/C10H20N4O2/c1-10(2,5-8(11)15)14-9(16)7-6-12-3-4-13-7/h7,12-13H,3-6H2,1-2H3,(H2,11,15)(H,14,16)
InChIKeyIYCKZSITYJXZRB-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.68
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide (PubChem CID 106096831) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
PubChem CID106096831
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CNCCN1
InChIInChI=1S/C10H20N4O2/c1-10(2,5-8(11)15)14-9(16)7-6-12-3-4-13-7/h7,12-13H,3-6H2,1-2H3,(H2,11,15)(H,14,16)
InChIKeyIYCKZSITYJXZRB-UHFFFAOYSA-N
XLogP-1.68
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106329297
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CID 106096459
3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
CID 106096629
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CID 63103456
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CID 83121811
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CID 129371742
N-(2-methoxy-2-methylpropyl)piperazine-2-carboxamide
CID 104761988
N-cyclopropylpiperazine-2-carboxamide
CID 83806832
N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide
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piperazine-2-carboxylic acid
CID 2723758
acetic acid;piperazine-2-carboxamide
CID 14877963

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide (CID 106096831) is N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide is CC(C)(CC(N)=O)NC(=O)C1CNCCN1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide?
The InChIKey is IYCKZSITYJXZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-10(2,5-8(11)15)14-9(16)7-6-12-3-4-13-7/h7,12-13H,3-6H2,1-2H3,(H2,11,15)(H,14,16).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 106096831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).