N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide

C16H25N3O — CID 114592183

IUPACN-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
SMILESCC1CC(C)C(C)N(CC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-11-7-12(2)13(3)19(9-11)10-16(20)18-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyFWGOXFBHGSOZJW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.57
Rot. Bonds3

About N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide

N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide (PubChem CID 114592183) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
PubChem CID114592183
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
SMILESCC1CC(C)C(C)N(CC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-11-7-12(2)13(3)19(9-11)10-16(20)18-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyFWGOXFBHGSOZJW-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114592196
N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592180
N-(3-aminophenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544225
N-(3-aminophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64836220
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362
N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596455
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(3-aminophenyl)acetamide
CID 82746898
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide (CID 114592183) is N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide is CC1CC(C)C(C)N(CC(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
The InChIKey is FWGOXFBHGSOZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-7-12(2)13(3)19(9-11)10-16(20)18-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 114592183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).