2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide

C14H19N3O3 — CID 64654058

IUPAC2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
SMILESCN1CC(NC(=O)COc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C14H19N3O3/c1-17-8-11(4-7-14(17)19)16-13(18)9-20-12-5-2-10(15)3-6-12/h2-3,5-6,11H,4,7-9,15H2,1H3,(H,16,18)
InChIKeyNRJDWYPBDOJIEI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.38
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide

2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide (PubChem CID 64654058) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
PubChem CID64654058
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
SMILESCN1CC(NC(=O)COc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C14H19N3O3/c1-17-8-11(4-7-14(17)19)16-13(18)9-20-12-5-2-10(15)3-6-12/h2-3,5-6,11H,4,7-9,15H2,1H3,(H,16,18)
InChIKeyNRJDWYPBDOJIEI-UHFFFAOYSA-N
XLogP0.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689734
2-(4-aminophenoxy)-N-(1,1-dioxothian-4-yl)acetamide
CID 61102889
2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 126442191
N-(1-methyl-6-oxopiperidin-3-yl)-2-piperidin-4-yloxyacetamide
CID 64669415
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide (CID 64654058) is 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide is CN1CC(NC(=O)COc2ccc(N)cc2)CCC1=O.
What is the InChIKey of 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The InChIKey is NRJDWYPBDOJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-8-11(4-7-14(17)19)16-13(18)9-20-12-5-2-10(15)3-6-12/h2-3,5-6,11H,4,7-9,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 64654058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).