N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide

C13H24N4O — CID 79717113

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N(C)CCC#N)CC1CCNCC1
InChIInChI=1S/C13H24N4O/c1-16(10-12-4-7-15-8-5-12)11-13(18)17(2)9-3-6-14/h12,15H,3-5,7-11H2,1-2H3
InChIKeyBKBVINSTYFQERI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.29
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide (PubChem CID 79717113) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
PubChem CID79717113
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N(C)CCC#N)CC1CCNCC1
InChIInChI=1S/C13H24N4O/c1-16(10-12-4-7-15-8-5-12)11-13(18)17(2)9-3-6-14/h12,15H,3-5,7-11H2,1-2H3
InChIKeyBKBVINSTYFQERI-UHFFFAOYSA-N
XLogP0.29
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79314480
N-(3-aminopropyl)-2-[cyclopropylmethyl(methyl)amino]-N-methylacetamide
CID 60985762
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 43289622
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylacetamide
CID 63693325

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide (CID 79717113) is N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide is CN(CC(=O)N(C)CCC#N)CC1CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
The InChIKey is BKBVINSTYFQERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16(10-12-4-7-15-8-5-12)11-13(18)17(2)9-3-6-14/h12,15H,3-5,7-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 79717113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).