N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide

C11H21N3O — CID 163585117

IUPACN-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
SMILESCC/C(=N\C)NC(=O)CC1CCNCC1
InChIInChI=1S/C11H21N3O/c1-3-10(12-2)14-11(15)8-9-4-6-13-7-5-9/h9,13H,3-8H2,1-2H3,(H,12,14,15)
InChIKeyGKVMYPHJTWOWOY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds3

About N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide

N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide (PubChem CID 163585117) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
PubChem CID163585117
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
SMILESCC/C(=N\C)NC(=O)CC1CCNCC1
InChIInChI=1S/C11H21N3O/c1-3-10(12-2)14-11(15)8-9-4-6-13-7-5-9/h9,13H,3-8H2,1-2H3,(H,12,14,15)
InChIKeyGKVMYPHJTWOWOY-UHFFFAOYSA-N
XLogP0.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-piperidin-4-ylethylidene)acetamide
CID 57274047
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
2-Propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 86277609
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
CID 123586564
N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
CID 123794760
2-(5-Methyliminopyrrolidin-3-yl)-1-piperidin-1-ylethanone
CID 137298091
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
CID 145380383
N-[C-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide
CID 156523477
N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide
CID 156807596

Frequently Asked Questions

What is the IUPAC name of N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide (CID 163585117) is N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide is CC/C(=N\C)NC(=O)CC1CCNCC1.
What is the InChIKey of N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide?
The InChIKey is GKVMYPHJTWOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-10(12-2)14-11(15)8-9-4-6-13-7-5-9/h9,13H,3-8H2,1-2H3,(H,12,14,15).
What are the key properties of N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide?
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide has a molecular weight of 211.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 163585117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).