3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide

C13H26N4O2 — CID 76921093

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(CN1CCCCC1)NC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-10(9-17-7-5-4-6-8-17)15-12(18)13(2,3)11(14)16-19/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyKCJCUTMUBUYHTF-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide (PubChem CID 76921093) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
PubChem CID76921093
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(CN1CCCCC1)NC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-10(9-17-7-5-4-6-8-17)15-12(18)13(2,3)11(14)16-19/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyKCJCUTMUBUYHTF-UHFFFAOYSA-N
XLogP0.75
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.75
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 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide (CID 76921093) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide is CC(CN1CCCCC1)NC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The InChIKey is KCJCUTMUBUYHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(9-17-7-5-4-6-8-17)15-12(18)13(2,3)11(14)16-19/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide has a molecular weight of 270.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 76921093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).