[2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium

C14H22N3O3+ — CID 142203347

IUPAC[2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium
SMILESCC(=O)Nc1ccc(OC2CCCN(C)C2)cc1[NH2+]O
InChIInChI=1S/C14H21N3O3/c1-10(18)15-13-6-5-11(8-14(13)16-19)20-12-4-3-7-17(2)9-12/h5-6,8,12,16,19H,3-4,7,9H2,1-2H3,(H,15,18)/p+1
InChIKeySCPSERGBHBGETH-UHFFFAOYSA-O
MW280.35 g/mol
LogP0.70
Rot. Bonds4

About [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium

[2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium (PubChem CID 142203347) has the molecular formula C14H22N3O3+ and a molecular weight of 280.35 g/mol. Its IUPAC name is [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium.

Molecular Properties

Compound Name[2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium
PubChem CID142203347
Molecular FormulaC14H22N3O3+
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium
SMILESCC(=O)Nc1ccc(OC2CCCN(C)C2)cc1[NH2+]O
InChIInChI=1S/C14H21N3O3/c1-10(18)15-13-6-5-11(8-14(13)16-19)20-12-4-3-7-17(2)9-12/h5-6,8,12,16,19H,3-4,7,9H2,1-2H3,(H,15,18)/p+1
InChIKeySCPSERGBHBGETH-UHFFFAOYSA-O
XLogP0.70
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium?
The IUPAC name of [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium (CID 142203347) is [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium.
What is the SMILES notation for [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium?
The canonical SMILES for [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium is CC(=O)Nc1ccc(OC2CCCN(C)C2)cc1[NH2+]O.
What is the InChIKey of [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium?
The InChIKey is SCPSERGBHBGETH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O3/c1-10(18)15-13-6-5-11(8-14(13)16-19)20-12-4-3-7-17(2)9-12/h5-6,8,12,16,19H,3-4,7,9H2,1-2H3,(H,15,18)/p+1.
What are the key properties of [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium?
[2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium has a molecular weight of 280.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(1-methylpiperidin-3-yl)oxyphenyl]-hydroxyazanium is sourced from PubChem (CID 142203347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).