4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

C18H28N2O2 — CID 51095853

IUPAC4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
SMILESCCOCCCC(=O)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-22-14-6-7-18(21)19-15-16-8-10-17(11-9-16)20-12-4-3-5-13-20/h8-11H,2-7,12-15H2,1H3,(H,19,21)
InChIKeyKWZTWZOZKKXYJH-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.11
Rot. Bonds8

About 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide (PubChem CID 51095853) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
PubChem CID51095853
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
SMILESCCOCCCC(=O)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-22-14-6-7-18(21)19-15-16-8-10-17(11-9-16)20-12-4-3-5-13-20/h8-11H,2-7,12-15H2,1H3,(H,19,21)
InChIKeyKWZTWZOZKKXYJH-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The IUPAC name of 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide (CID 51095853) is 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide is CCOCCCC(=O)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The InChIKey is KWZTWZOZKKXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-22-14-6-7-18(21)19-15-16-8-10-17(11-9-16)20-12-4-3-5-13-20/h8-11H,2-7,12-15H2,1H3,(H,19,21).
What are the key properties of 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide has a molecular weight of 304.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-piperidin-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 51095853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).