N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide

C16H27N3O — CID 18171107

IUPACN-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
SMILESCC1CC(C)CN(CC(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C16H27N3O/c1-13-8-14(2)10-19(9-13)11-15(20)18-16(12-17)6-4-3-5-7-16/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyLTEKQDZKRILIJM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide

N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide (PubChem CID 18171107) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
PubChem CID18171107
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
SMILESCC1CC(C)CN(CC(=O)NC2(C#N)CCCCC2)C1
InChIInChI=1S/C16H27N3O/c1-13-8-14(2)10-19(9-13)11-15(20)18-16(12-17)6-4-3-5-7-16/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyLTEKQDZKRILIJM-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide (CID 18171107) is N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide is CC1CC(C)CN(CC(=O)NC2(C#N)CCCCC2)C1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
The InChIKey is LTEKQDZKRILIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-8-14(2)10-19(9-13)11-15(20)18-16(12-17)6-4-3-5-7-16/h13-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 18171107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).