N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide

C15H27N3O — CID 63160697

IUPACN-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1(CC)CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C15H27N3O/c1-4-15(5-2)7-11-18(12-8-15)13-14(19)17(3)10-6-9-16/h4-8,10-13H2,1-3H3
InChIKeyCJGBTHXZMCXAHJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds6

About N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide (PubChem CID 63160697) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
PubChem CID63160697
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1(CC)CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C15H27N3O/c1-4-15(5-2)7-11-18(12-8-15)13-14(19)17(3)10-6-9-16/h4-8,10-13H2,1-3H3
InChIKeyCJGBTHXZMCXAHJ-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide (CID 63160697) is N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide is CCC1(CC)CCN(CC(=O)N(C)CCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is CJGBTHXZMCXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-15(5-2)7-11-18(12-8-15)13-14(19)17(3)10-6-9-16/h4-8,10-13H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 265.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 63160697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).