N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide

C21H32N2O3 — CID 23723876

IUPACN-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C/C=C/c2ccccc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-25-17-13-22-21(24)10-9-18-11-15-23(16-12-18)14-5-7-19-6-3-4-8-20(19)26-2/h3-8,18H,9-17H2,1-2H3,(H,22,24)/b7-5+
InChIKeyKFKPWTHGUNOXIR-FNORWQNLSA-N
MW360.50 g/mol
LogP2.96
Rot. Bonds10

About N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide (PubChem CID 23723876) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide
PubChem CID23723876
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C/C=C/c2ccccc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-25-17-13-22-21(24)10-9-18-11-15-23(16-12-18)14-5-7-19-6-3-4-8-20(19)26-2/h3-8,18H,9-17H2,1-2H3,(H,22,24)/b7-5+
InChIKeyKFKPWTHGUNOXIR-FNORWQNLSA-N
XLogP2.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide (CID 23723876) is N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(C/C=C/c2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide?
The InChIKey is KFKPWTHGUNOXIR-FNORWQNLSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-17-13-22-21(24)10-9-18-11-15-23(16-12-18)14-5-7-19-6-3-4-8-20(19)26-2/h3-8,18H,9-17H2,1-2H3,(H,22,24)/b7-5+.
What are the key properties of N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 23723876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).