2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide

C13H17N3O2 — CID 62498386

IUPAC2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
SMILESNc1cccc(CC(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C13H17N3O2/c14-10-4-1-3-9(7-10)8-12(17)16-11-5-2-6-15-13(11)18/h1,3-4,7,11H,2,5-6,8,14H2,(H,15,18)(H,16,17)
InChIKeyQDEXHYOSUAAUHP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.21
Rot. Bonds3

About 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide

2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide (PubChem CID 62498386) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
PubChem CID62498386
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
SMILESNc1cccc(CC(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C13H17N3O2/c14-10-4-1-3-9(7-10)8-12(17)16-11-5-2-6-15-13(11)18/h1,3-4,7,11H,2,5-6,8,14H2,(H,15,18)(H,16,17)
InChIKeyQDEXHYOSUAAUHP-UHFFFAOYSA-N
XLogP0.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
CID 75390361
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide (CID 62498386) is 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide is Nc1cccc(CC(=O)NC2CCCNC2=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide?
The InChIKey is QDEXHYOSUAAUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-4-1-3-9(7-10)8-12(17)16-11-5-2-6-15-13(11)18/h1,3-4,7,11H,2,5-6,8,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide?
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 62498386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).