2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide

C15H23N3O — CID 62500018

IUPAC2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESNc1cccc(CC(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c16-14-6-4-5-13(11-14)12-15(19)17-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10,12,16H2,(H,17,19)
InChIKeyPYCWMYCLQMPEQS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide

2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 62500018) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID62500018
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESNc1cccc(CC(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c16-14-6-4-5-13(11-14)12-15(19)17-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10,12,16H2,(H,17,19)
InChIKeyPYCWMYCLQMPEQS-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
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

2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427
1-[2-[[2-(3-aminophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500327
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide (CID 62500018) is 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide is Nc1cccc(CC(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is PYCWMYCLQMPEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-14-6-4-5-13(11-14)12-15(19)17-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10,12,16H2,(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide?
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 62500018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).