N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide

C11H19N3O2 — CID 61122372

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H19N3O2/c1-3-16-8-10(15)13-11(9-12)4-6-14(2)7-5-11/h3-8H2,1-2H3,(H,13,15)
InChIKeyVARCHMZLZBLJDH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.13
Rot. Bonds4

About N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide (PubChem CID 61122372) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
PubChem CID61122372
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H19N3O2/c1-3-16-8-10(15)13-11(9-12)4-6-14(2)7-5-11/h3-8H2,1-2H3,(H,13,15)
InChIKeyVARCHMZLZBLJDH-UHFFFAOYSA-N
XLogP0.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
CID 112728083
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
3-butylsulfanyl-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 71874736
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate
CID 61456904
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
N-(1-cyanocyclopentyl)propanamide
CID 55029198
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
CID 71998960

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide (CID 61122372) is N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide is CCOCC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide?
The InChIKey is VARCHMZLZBLJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-8-10(15)13-11(9-12)4-6-14(2)7-5-11/h3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide has a molecular weight of 225.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide is sourced from PubChem (CID 61122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).