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

C14H25N3O2 — CID 54985060

IUPACN-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
SMILESCCCOC1CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C14H25N3O2/c1-3-10-19-13-6-4-9-17(11-13)12-14(18)16(2)8-5-7-15/h13H,3-6,8-12H2,1-2H3
InChIKeyIZQLDIBRKIZLGD-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.25
Rot. Bonds7

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

N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide (PubChem CID 54985060) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
PubChem CID54985060
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
SMILESCCCOC1CCCN(CC(=O)N(C)CCC#N)C1
InChIInChI=1S/C14H25N3O2/c1-3-10-19-13-6-4-9-17(11-13)12-14(18)16(2)8-5-7-15/h13H,3-6,8-12H2,1-2H3
InChIKeyIZQLDIBRKIZLGD-UHFFFAOYSA-N
XLogP1.25
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-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)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
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
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475
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-hydroxyethyl)-2-(3-propoxypiperidin-1-yl)acetamide
CID 54990386
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide (CID 54985060) is N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide is CCCOC1CCCN(CC(=O)N(C)CCC#N)C1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide?
The InChIKey is IZQLDIBRKIZLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-10-19-13-6-4-9-17(11-13)12-14(18)16(2)8-5-7-15/h13H,3-6,8-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide is sourced from PubChem (CID 54985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).