N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide

C12H21N3O2 — CID 113231239

IUPACN-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
SMILESCOC1CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C12H21N3O2/c1-14(7-4-6-13)12(16)10-15-8-3-5-11(9-15)17-2/h11H,3-5,7-10H2,1-2H3
InChIKeyMGAPPWCAKITJDX-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.47
Rot. Bonds5

About N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide (PubChem CID 113231239) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
PubChem CID113231239
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
SMILESCOC1CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C12H21N3O2/c1-14(7-4-6-13)12(16)10-15-8-3-5-11(9-15)17-2/h11H,3-5,7-10H2,1-2H3
InChIKeyMGAPPWCAKITJDX-UHFFFAOYSA-N
XLogP0.47
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
CID 54985060
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 43213986
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
N-(2-cyanoethyl)-N-methyl-2-(1,4-thiazepan-4-yl)acetamide
CID 61419019
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
N-(2-cyanoethyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropanamide
CID 103533519
N-(2-cyanoethyl)-N-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 78959462
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide (CID 113231239) is N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide is COC1CCCN(CC(=O)N(C)CCC#N)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is MGAPPWCAKITJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14(7-4-6-13)12(16)10-15-8-3-5-11(9-15)17-2/h11H,3-5,7-10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 113231239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).