N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide

C22H27N3O2 — CID 5340760

IUPACN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1ccc(COc2ccc(/C=N/NC(=O)CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-18-5-7-20(8-6-18)17-27-21-11-9-19(10-12-21)15-23-24-22(26)16-25-13-3-2-4-14-25/h5-12,15H,2-4,13-14,16-17H2,1H3,(H,24,26)/b23-15+
InChIKeyWVEJGTAYWOEDJV-HZHRSRAPSA-N
MW365.48 g/mol
LogP3.51
Rot. Bonds7

About N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 5340760) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID5340760
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1ccc(COc2ccc(/C=N/NC(=O)CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-18-5-7-20(8-6-18)17-27-21-11-9-19(10-12-21)15-23-24-22(26)16-25-13-3-2-4-14-25/h5-12,15H,2-4,13-14,16-17H2,1H3,(H,24,26)/b23-15+
InChIKeyWVEJGTAYWOEDJV-HZHRSRAPSA-N
XLogP3.51
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.51
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)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide (CID 5340760) is N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide is Cc1ccc(COc2ccc(/C=N/NC(=O)CN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is WVEJGTAYWOEDJV-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18-5-7-20(8-6-18)17-27-21-11-9-19(10-12-21)15-23-24-22(26)16-25-13-3-2-4-14-25/h5-12,15H,2-4,13-14,16-17H2,1H3,(H,24,26)/b23-15+.
What are the key properties of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 5340760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).