N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide

C15H19N7O2 — CID 135493777

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H19N7O2/c23-13-7-3-2-6-12(13)10-16-17-14(24)11-22-19-15(18-20-22)21-8-4-1-5-9-21/h2-3,6-7,10,23H,1,4-5,8-9,11H2,(H,17,24)/b16-10+
InChIKeyFXWLLZNXUYHGFZ-MHWRWJLKSA-N
MW329.36 g/mol
LogP0.52
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide (PubChem CID 135493777) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide
PubChem CID135493777
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H19N7O2/c23-13-7-3-2-6-12(13)10-16-17-14(24)11-22-19-15(18-20-22)21-8-4-1-5-9-21/h2-3,6-7,10,23H,1,4-5,8-9,11H2,(H,17,24)/b16-10+
InChIKeyFXWLLZNXUYHGFZ-MHWRWJLKSA-N
XLogP0.52
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

CID 135576419
CID 135576419
CID 135603302
CID 135603302
CID 340147
CID 340147
CID 135531574
CID 135531574
CID 135650547
CID 135650547
CID 137284443
CID 137284443
CID 948467
CID 948467
CID 1936259
CID 1936259
CID 137253445
CID 137253445
CID 137477500
CID 137477500
CID 685090
CID 685090
CID 703122
CID 703122

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide (CID 135493777) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide?
The InChIKey is FXWLLZNXUYHGFZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H19N7O2/c23-13-7-3-2-6-12(13)10-16-17-14(24)11-22-19-15(18-20-22)21-8-4-1-5-9-21/h2-3,6-7,10,23H,1,4-5,8-9,11H2,(H,17,24)/b16-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-piperidin-1-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 135493777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).