2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C18H27N3O3 — CID 2944026

IUPAC2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H27N3O3/c1-12(13-6-8-15(9-7-13)21(23)24)16(22)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,12,14,20H,10-11H2,1-5H3,(H,19,22)
InChIKeyYZJUUVOUHDUHMZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 2944026) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID2944026
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H27N3O3/c1-12(13-6-8-15(9-7-13)21(23)24)16(22)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,12,14,20H,10-11H2,1-5H3,(H,19,22)
InChIKeyYZJUUVOUHDUHMZ-UHFFFAOYSA-N
XLogP3.12
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 2944026) is 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC(C(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is YZJUUVOUHDUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(13-6-8-15(9-7-13)21(23)24)16(22)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,12,14,20H,10-11H2,1-5H3,(H,19,22).
What are the key properties of 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 2944026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).