1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide

C22H28N2O2 — CID 18678345

IUPAC1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-23-22(25)20-11-13-24(14-12-20)15-16-26-21-9-7-19(8-10-21)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeyBPDGUAMXQHYQEW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.11
Rot. Bonds7

About 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide

1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 18678345) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID18678345
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-23-22(25)20-11-13-24(14-12-20)15-16-26-21-9-7-19(8-10-21)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeyBPDGUAMXQHYQEW-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-1-(2-phenoxyethyl)piperidine
CID 1328600
2-((trans-2-(4-(Benzyloxy)phenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)ethanone
CID 45376076
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone
CID 60149007
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
4-Piperidinecarboxamide, 1-(4-(2-(2-phenylethyl)phenoxy)butyl)-
CID 3055325
3-Piperidinecarboxamide, 1-(4-(2-(2-phenylethyl)phenoxy)butyl)-
CID 3055326
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
(R/S)-2-((4-benzylphenoxy)methyl)piperazine
CID 46888243
3-[3-(4-Benzylphenoxy)propyl-methylazaniumyl]propanoate
CID 71772315

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide (CID 18678345) is 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BPDGUAMXQHYQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23-22(25)20-11-13-24(14-12-20)15-16-26-21-9-7-19(8-10-21)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25).
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 18678345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).