N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C18H24N4O2 — CID 71590626

IUPACN'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(C#N)cc2)CC(C)(C)N1
InChIInChI=1S/C18H24N4O2/c1-17(2)9-14(10-18(3,4)22-17)21-16(24)15(23)20-13-7-5-12(11-19)6-8-13/h5-8,14,22H,9-10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyRYSOUWNRCRQJKR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.92
Rot. Bonds2

About N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 71590626) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID71590626
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(C#N)cc2)CC(C)(C)N1
InChIInChI=1S/C18H24N4O2/c1-17(2)9-14(10-18(3,4)22-17)21-16(24)15(23)20-13-7-5-12(11-19)6-8-13/h5-8,14,22H,9-10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyRYSOUWNRCRQJKR-UHFFFAOYSA-N
XLogP1.92
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 71590626) is N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccc(C#N)cc2)CC(C)(C)N1.
What is the InChIKey of N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is RYSOUWNRCRQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-17(2)9-14(10-18(3,4)22-17)21-16(24)15(23)20-13-7-5-12(11-19)6-8-13/h5-8,14,22H,9-10H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 328.42 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 71590626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).