1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide

C7H14N4O3 — CID 139979655

IUPAC1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide
SMILESCC1(C(N)=O)CNCCN1C(=O)NO
InChIInChI=1S/C7H14N4O3/c1-7(5(8)12)4-9-2-3-11(7)6(13)10-14/h9,14H,2-4H2,1H3,(H2,8,12)(H,10,13)
InChIKeyIVFVWMFFQUXMLR-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.77
Rot. Bonds1

About 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide

1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide (PubChem CID 139979655) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide
PubChem CID139979655
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide
SMILESCC1(C(N)=O)CNCCN1C(=O)NO
InChIInChI=1S/C7H14N4O3/c1-7(5(8)12)4-9-2-3-11(7)6(13)10-14/h9,14H,2-4H2,1H3,(H2,8,12)(H,10,13)
InChIKeyIVFVWMFFQUXMLR-UHFFFAOYSA-N
XLogP-1.77
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethylpiperazine-2-carboxamide
CID 174849300
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
CID 175400977
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
2-(hydroxymethyl)piperazine-1,2-dicarboxamide
CID 141020073
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
CID 65462532
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79163291
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562045
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312

Frequently Asked Questions

What is the IUPAC name of 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide?
The IUPAC name of 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide (CID 139979655) is 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide is CC1(C(N)=O)CNCCN1C(=O)NO.
What is the InChIKey of 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide?
The InChIKey is IVFVWMFFQUXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-7(5(8)12)4-9-2-3-11(7)6(13)10-14/h9,14H,2-4H2,1H3,(H2,8,12)(H,10,13).
What are the key properties of 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide?
1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide has a molecular weight of 202.21 g/mol, XLogP of -1.77, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 139979655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).