N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

C14H28N4O2 — CID 83022850

IUPACN-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)NN1C(C)CCCC1C)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-5-14(6-2,12(15)17-20)13(19)16-18-10(3)8-7-9-11(18)4/h10-11,20H,5-9H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeyMTGNVUPNSJZQLM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.83
Rot. Bonds5

About N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 83022850) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID83022850
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)NN1C(C)CCCC1C)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-5-14(6-2,12(15)17-20)13(19)16-18-10(3)8-7-9-11(18)4/h10-11,20H,5-9H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeyMTGNVUPNSJZQLM-UHFFFAOYSA-N
XLogP1.83
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 83022850) is N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(CC)(C(=O)NN1C(C)CCCC1C)C(N)=NO.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is MTGNVUPNSJZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-14(6-2,12(15)17-20)13(19)16-18-10(3)8-7-9-11(18)4/h10-11,20H,5-9H2,1-4H3,(H2,15,17)(H,16,19).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 83022850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).