N-hydroxy-5,5-dimethylpiperazine-2-carboxamide

C7H15N3O2 — CID 91449760

IUPACN-hydroxy-5,5-dimethylpiperazine-2-carboxamide
SMILESCC1(C)CNC(C(=O)NO)CN1
InChIInChI=1S/C7H15N3O2/c1-7(2)4-8-5(3-9-7)6(11)10-12/h5,8-9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyNUKPJHDFCMQZBD-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.17
Rot. Bonds1

About N-hydroxy-5,5-dimethylpiperazine-2-carboxamide

N-hydroxy-5,5-dimethylpiperazine-2-carboxamide (PubChem CID 91449760) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-hydroxy-5,5-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5,5-dimethylpiperazine-2-carboxamide
PubChem CID91449760
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN-hydroxy-5,5-dimethylpiperazine-2-carboxamide
SMILESCC1(C)CNC(C(=O)NO)CN1
InChIInChI=1S/C7H15N3O2/c1-7(2)4-8-5(3-9-7)6(11)10-12/h5,8-9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyNUKPJHDFCMQZBD-UHFFFAOYSA-N
XLogP-1.17
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.17
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5,5-dimethylpiperazine-2-carboxamide?
The IUPAC name of N-hydroxy-5,5-dimethylpiperazine-2-carboxamide (CID 91449760) is N-hydroxy-5,5-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5,5-dimethylpiperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-5,5-dimethylpiperazine-2-carboxamide is CC1(C)CNC(C(=O)NO)CN1.
What is the InChIKey of N-hydroxy-5,5-dimethylpiperazine-2-carboxamide?
The InChIKey is NUKPJHDFCMQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(2)4-8-5(3-9-7)6(11)10-12/h5,8-9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-hydroxy-5,5-dimethylpiperazine-2-carboxamide?
N-hydroxy-5,5-dimethylpiperazine-2-carboxamide has a molecular weight of 173.22 g/mol, XLogP of -1.17, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5,5-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 91449760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).