2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide

C19H31N3O2 — CID 142663332

IUPAC2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide
SMILESCCCC(Oc1cccc(N)c1)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-2-8-18(24-17-10-6-9-16(20)15-17)19(23)21-11-7-14-22-12-4-3-5-13-22/h6,9-10,15,18H,2-5,7-8,11-14,20H2,1H3,(H,21,23)
InChIKeyPKOUTHZNQWLNFT-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.81
Rot. Bonds9

About 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide

2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide (PubChem CID 142663332) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide
PubChem CID142663332
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide
SMILESCCCC(Oc1cccc(N)c1)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-2-8-18(24-17-10-6-9-16(20)15-17)19(23)21-11-7-14-22-12-4-3-5-13-22/h6,9-10,15,18H,2-5,7-8,11-14,20H2,1H3,(H,21,23)
InChIKeyPKOUTHZNQWLNFT-UHFFFAOYSA-N
XLogP2.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide (CID 142663332) is 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide is CCCC(Oc1cccc(N)c1)C(=O)NCCCN1CCCCC1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide?
The InChIKey is PKOUTHZNQWLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-8-18(24-17-10-6-9-16(20)15-17)19(23)21-11-7-14-22-12-4-3-5-13-22/h6,9-10,15,18H,2-5,7-8,11-14,20H2,1H3,(H,21,23).
What are the key properties of 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide?
2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide has a molecular weight of 333.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(3-piperidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 142663332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).