2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C20H25N3O — CID 28712286

IUPAC2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccc(N)c3)cc2)CC1
InChIInChI=1S/C20H25N3O/c1-15-9-11-23(12-10-15)19-7-5-18(6-8-19)22-20(24)14-16-3-2-4-17(21)13-16/h2-8,13,15H,9-12,14,21H2,1H3,(H,22,24)
InChIKeyODULXBUWBAZFKE-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 28712286) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID28712286
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccc(N)c3)cc2)CC1
InChIInChI=1S/C20H25N3O/c1-15-9-11-23(12-10-15)19-7-5-18(6-8-19)22-20(24)14-16-3-2-4-17(21)13-16/h2-8,13,15H,9-12,14,21H2,1H3,(H,22,24)
InChIKeyODULXBUWBAZFKE-UHFFFAOYSA-N
XLogP3.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9303488
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 28712286) is 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)Cc3cccc(N)c3)cc2)CC1.
What is the InChIKey of 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is ODULXBUWBAZFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-9-11-23(12-10-15)19-7-5-18(6-8-19)22-20(24)14-16-3-2-4-17(21)13-16/h2-8,13,15H,9-12,14,21H2,1H3,(H,22,24).
What are the key properties of 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 28712286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).