N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide

C12H21N3O2 — CID 112690099

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C12H21N3O2/c1-10(2)17-9-12(16)14-11-3-6-15(7-4-11)8-5-13/h10-11H,3-4,6-9H2,1-2H3,(H,14,16)
InChIKeyUGURHMJOQKUQIR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.52
Rot. Bonds5

About N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide

N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide (PubChem CID 112690099) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
PubChem CID112690099
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C12H21N3O2/c1-10(2)17-9-12(16)14-11-3-6-15(7-4-11)8-5-13/h10-11H,3-4,6-9H2,1-2H3,(H,14,16)
InChIKeyUGURHMJOQKUQIR-UHFFFAOYSA-N
XLogP0.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63627311
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-sulfanylpropanamide
CID 156532691
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
CID 112690018
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673254
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208845
2-(2-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63626961
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955
2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 47280168

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide (CID 112690099) is N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC1CCN(CC#N)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide?
The InChIKey is UGURHMJOQKUQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)17-9-12(16)14-11-3-6-15(7-4-11)8-5-13/h10-11H,3-4,6-9H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide?
N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112690099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).