N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide

C15H22N3O2+ — CID 137477500

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide
SMILESC[N+]1(CC(=O)N/N=C/c2ccccc2O)CCCCC1
InChIInChI=1S/C15H21N3O2/c1-18(9-5-2-6-10-18)12-15(20)17-16-11-13-7-3-4-8-14(13)19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H-,16,17,19,20)/p+1
InChIKeyQXMMGPBBQOYWSN-UHFFFAOYSA-O
MW276.36 g/mol
LogP1.47
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 137477500) has the molecular formula C15H22N3O2+ and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID137477500
Molecular FormulaC15H22N3O2+
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide
SMILESC[N+]1(CC(=O)N/N=C/c2ccccc2O)CCCCC1
InChIInChI=1S/C15H21N3O2/c1-18(9-5-2-6-10-18)12-15(20)17-16-11-13-7-3-4-8-14(13)19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H-,16,17,19,20)/p+1
InChIKeyQXMMGPBBQOYWSN-UHFFFAOYSA-O
XLogP1.47
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide (CID 137477500) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide is C[N+]1(CC(=O)N/N=C/c2ccccc2O)CCCCC1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is QXMMGPBBQOYWSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O2/c1-18(9-5-2-6-10-18)12-15(20)17-16-11-13-7-3-4-8-14(13)19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H-,16,17,19,20)/p+1.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 276.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 137477500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).