N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

C22H27N3O3 — CID 6871731

IUPACN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCOc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-27-21-14-19(10-11-20(21)28-17-18-8-4-2-5-9-18)15-23-24-22(26)16-25-12-6-3-7-13-25/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3,(H,24,26)/b23-15+
InChIKeyQZNILJDUISLOGH-HZHRSRAPSA-N
MW381.48 g/mol
LogP3.21
Rot. Bonds8

About N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 6871731) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID6871731
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCOc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-27-21-14-19(10-11-20(21)28-17-18-8-4-2-5-9-18)15-23-24-22(26)16-25-12-6-3-7-13-25/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3,(H,24,26)/b23-15+
InChIKeyQZNILJDUISLOGH-HZHRSRAPSA-N
XLogP3.21
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 6871731) is N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is COc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is QZNILJDUISLOGH-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-21-14-19(10-11-20(21)28-17-18-8-4-2-5-9-18)15-23-24-22(26)16-25-12-6-3-7-13-25/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3,(H,24,26)/b23-15+.
What are the key properties of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 381.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6871731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).