2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

C11H19N3O — CID 104920672

IUPAC2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)CC#N)CC1
InChIInChI=1S/C11H19N3O/c1-11(4-7-14(2)8-5-11)9-13-10(15)3-6-12/h3-5,7-9H2,1-2H3,(H,13,15)
InChIKeyFMBNEBGRHOUENQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.75
Rot. Bonds3

About 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (PubChem CID 104920672) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
PubChem CID104920672
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)CC#N)CC1
InChIInChI=1S/C11H19N3O/c1-11(4-7-14(2)8-5-11)9-13-10(15)3-6-12/h3-5,7-9H2,1-2H3,(H,13,15)
InChIKeyFMBNEBGRHOUENQ-UHFFFAOYSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
CID 104919970
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163698
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
CID 107164042
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
2-(2-aminoethoxy)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107164001
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107163897

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (CID 104920672) is 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is CN1CCC(C)(CNC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The InChIKey is FMBNEBGRHOUENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(4-7-14(2)8-5-11)9-13-10(15)3-6-12/h3-5,7-9H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 104920672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).