N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

C18H27N3O3 — CID 6871734

IUPACN-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OCC
InChIInChI=1S/C18H27N3O3/c1-3-23-16-9-8-15(12-17(16)24-4-2)13-19-20-18(22)14-21-10-6-5-7-11-21/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,20,22)/b19-13+
InChIKeyQWBYIFKFBMRIBP-CPNJWEJPSA-N
MW333.43 g/mol
LogP2.42
Rot. Bonds8

About N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 6871734) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID6871734
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OCC
InChIInChI=1S/C18H27N3O3/c1-3-23-16-9-8-15(12-17(16)24-4-2)13-19-20-18(22)14-21-10-6-5-7-11-21/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,20,22)/b19-13+
InChIKeyQWBYIFKFBMRIBP-CPNJWEJPSA-N
XLogP2.42
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.42
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)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 6871734) is N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OCC.
What is the InChIKey of N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is QWBYIFKFBMRIBP-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-23-16-9-8-15(12-17(16)24-4-2)13-19-20-18(22)14-21-10-6-5-7-11-21/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,20,22)/b19-13+.
What are the key properties of N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 333.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6871734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).