3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide

C14H19N3O3 — CID 62094525

IUPAC3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
SMILESNc1ccc(OCCC(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C14H19N3O3/c15-10-3-5-11(6-4-10)20-9-7-13(18)17-12-2-1-8-16-14(12)19/h3-6,12H,1-2,7-9,15H2,(H,16,19)(H,17,18)
InChIKeyQHSXGDHRBOKCEL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.43
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide

3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide (PubChem CID 62094525) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
PubChem CID62094525
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
SMILESNc1ccc(OCCC(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C14H19N3O3/c15-10-3-5-11(6-4-10)20-9-7-13(18)17-12-2-1-8-16-14(12)19/h3-6,12H,1-2,7-9,15H2,(H,16,19)(H,17,18)
InChIKeyQHSXGDHRBOKCEL-UHFFFAOYSA-N
XLogP0.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 92568904
4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
CID 94799342
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62498386
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
4-amino-3-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 103155744
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide (CID 62094525) is 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide is Nc1ccc(OCCC(=O)NC2CCCNC2=O)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide?
The InChIKey is QHSXGDHRBOKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-10-3-5-11(6-4-10)20-9-7-13(18)17-12-2-1-8-16-14(12)19/h3-6,12H,1-2,7-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide?
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 62094525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).