2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide

C19H23N3O — CID 28712283

IUPAC2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESNc1cccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O/c20-16-6-4-5-15(13-16)14-19(23)21-17-7-9-18(10-8-17)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14,20H2,(H,21,23)
InChIKeyQCKTZLPVGFSRRU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 28712283) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID28712283
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESNc1cccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O/c20-16-6-4-5-15(13-16)14-19(23)21-17-7-9-18(10-8-17)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14,20H2,(H,21,23)
InChIKeyQCKTZLPVGFSRRU-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.44
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

3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 28712283) is 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide is Nc1cccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is QCKTZLPVGFSRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-16-6-4-5-15(13-16)14-19(23)21-17-7-9-18(10-8-17)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14,20H2,(H,21,23).
What are the key properties of 2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.44, 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-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 28712283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).