2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C22H27N3O2 — CID 71533432

IUPAC2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+
InChIKeyIFJBHFDNYBNAFZ-XQNSMLJCSA-N
MW365.48 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 71533432) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID71533432
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+
InChIKeyIFJBHFDNYBNAFZ-XQNSMLJCSA-N
XLogP3.10
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 ≤ 53.10
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 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 71533432) is 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is IFJBHFDNYBNAFZ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71533432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).