1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide

C14H21N3O2 — CID 43174260

IUPAC1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2cccc(N)c2)CC1
InChIInChI=1S/C14H21N3O2/c15-12-2-1-3-13(10-12)19-9-8-17-6-4-11(5-7-17)14(16)18/h1-3,10-11H,4-9,15H2,(H2,16,18)
InChIKeyXPBYGUXVPGIHLG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds5

About 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide

1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 43174260) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID43174260
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2cccc(N)c2)CC1
InChIInChI=1S/C14H21N3O2/c15-12-2-1-3-13(10-12)19-9-8-17-6-4-11(5-7-17)14(16)18/h1-3,10-11H,4-9,15H2,(H2,16,18)
InChIKeyXPBYGUXVPGIHLG-UHFFFAOYSA-N
XLogP0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide (CID 43174260) is 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCOc2cccc(N)c2)CC1.
What is the InChIKey of 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is XPBYGUXVPGIHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-2-1-3-13(10-12)19-9-8-17-6-4-11(5-7-17)14(16)18/h1-3,10-11H,4-9,15H2,(H2,16,18).
What are the key properties of 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide?
1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43174260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).