N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide

C12H21N3O — CID 43214011

IUPACN-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C12H21N3O/c1-11-5-3-8-15(9-11)10-12(16)14(2)7-4-6-13/h11H,3-5,7-10H2,1-2H3
InChIKeyVPFCHOCEAPGYOU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.09
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 43214011) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID43214011
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C12H21N3O/c1-11-5-3-8-15(9-11)10-12(16)14(2)7-4-6-13/h11H,3-5,7-10H2,1-2H3
InChIKeyVPFCHOCEAPGYOU-UHFFFAOYSA-N
XLogP1.09
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 113231239
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
CID 54985060
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
N-(cyclohexylmethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 78894131
N-(2-cyanoethyl)-N-methyl-2-(1,4-thiazepan-4-yl)acetamide
CID 61419019
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
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 43213986
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide (CID 43214011) is N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)N(C)CCC#N)C1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is VPFCHOCEAPGYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11-5-3-8-15(9-11)10-12(16)14(2)7-4-6-13/h11H,3-5,7-10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43214011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).