4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide

C22H28N2O2 — CID 112969940

IUPAC4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
SMILESCc1cccc(OCCNC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-18-6-5-9-21(16-18)26-15-12-23-22(25)24-13-10-20(11-14-24)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,23,25)
InChIKeyCESFOCZJJBMEEH-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.04
Rot. Bonds6

About 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide

4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide (PubChem CID 112969940) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
PubChem CID112969940
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
SMILESCc1cccc(OCCNC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-18-6-5-9-21(16-18)26-15-12-23-22(25)24-13-10-20(11-14-24)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,23,25)
InChIKeyCESFOCZJJBMEEH-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112973670
4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
CID 110638938
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41253166
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659459
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide (CID 112969940) is 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide is Cc1cccc(OCCNC(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide?
The InChIKey is CESFOCZJJBMEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-6-5-9-21(16-18)26-15-12-23-22(25)24-13-10-20(11-14-24)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,23,25).
What are the key properties of 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide?
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 112969940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).