2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

C16H29N3O — CID 107857142

IUPAC2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-7-16(8-2,11-17)13(20)18-12-9-14(3,4)19-15(5,6)10-12/h12,19H,7-10H2,1-6H3,(H,18,20)
InChIKeyCPNWHSSLAMJKCD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.74
Rot. Bonds4

About 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (PubChem CID 107857142) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
PubChem CID107857142
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H29N3O/c1-7-16(8-2,11-17)13(20)18-12-9-14(3,4)19-15(5,6)10-12/h12,19H,7-10H2,1-6H3,(H,18,20)
InChIKeyCPNWHSSLAMJKCD-UHFFFAOYSA-N
XLogP2.74
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (CID 107857142) is 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is CCC(C#N)(CC)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The InChIKey is CPNWHSSLAMJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-16(8-2,11-17)13(20)18-12-9-14(3,4)19-15(5,6)10-12/h12,19H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide has a molecular weight of 279.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 107857142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).