N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

C15H20BrN3O2 — CID 6871725

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)CN1CCCCC1
InChIInChI=1S/C15H20BrN3O2/c1-21-14-6-5-13(16)9-12(14)10-17-18-15(20)11-19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,20)/b17-10+
InChIKeyGVEYDGKMQVJLGU-LICLKQGHSA-N
MW354.25 g/mol
LogP2.39
Rot. Bonds5

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 6871725) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID6871725
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)CN1CCCCC1
InChIInChI=1S/C15H20BrN3O2/c1-21-14-6-5-13(16)9-12(14)10-17-18-15(20)11-19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,20)/b17-10+
InChIKeyGVEYDGKMQVJLGU-LICLKQGHSA-N
XLogP2.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 6871725) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is COc1ccc(Br)cc1/C=N/NC(=O)CN1CCCCC1.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is GVEYDGKMQVJLGU-LICLKQGHSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-21-14-6-5-13(16)9-12(14)10-17-18-15(20)11-19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 354.25 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6871725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).